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 3a8t_1_A DATA FIRST_RESID 28 DATA SEQUENCE RKEKLLVLMG ATGTGKSRLS IDLAAHFPLE VINSDKMQVY KGLDITTNKI DATA SEQUENCE SVPDRGGVPH HLLGEVDPAR GELTPADFRS LAGKAVSEIT GRRKLPVLVG DATA SEQUENCE GSNSFIHALL VDRFDSSGPX XXXXXXXXXX XXELRYDCCF LWVDVSVKVL DATA SEQUENCE TDYLAKRVDD MLELGMFDEL AEFYSPEDED HDEDSATRTG LRKAIGVPEF DATA SEQUENCE DRYFEKFRPG DVEGEDPGRD RVRRGAFEEA VRAIKENTCH LAKRQIGKIL DATA SEQUENCE RLKGAGWDLR RLDATESFRA AMTSDSGEKC TEIWEKQVLE PSVKIVSRFL DATA SEQUENCE DE 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 28 R HA 0.000 nan 4.340 nan 0.000 0.208 28 R C 0.000 176.287 176.300 -0.021 0.000 0.893 28 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 28 R CB 0.000 30.286 30.300 -0.023 0.000 0.687 29 K N 2.985 123.372 120.400 -0.022 0.000 2.263 29 K HA 0.247 4.568 4.320 0.002 0.000 0.282 29 K C -0.665 175.950 176.600 0.026 0.000 1.089 29 K CA -0.387 55.896 56.287 -0.007 0.000 0.907 29 K CB 0.669 33.154 32.500 -0.025 0.000 1.148 29 K HN 0.550 nan 8.250 nan 0.000 0.470 30 E N 3.217 123.467 120.200 0.084 0.000 2.413 30 E HA -0.029 4.323 4.350 0.002 0.000 0.263 30 E C -0.624 176.027 176.600 0.086 0.000 1.015 30 E CA 0.416 56.864 56.400 0.080 0.000 0.916 30 E CB 0.716 30.480 29.700 0.107 0.000 0.947 30 E HN 0.339 nan 8.360 nan 0.000 0.440 31 K N 2.221 122.606 120.400 -0.025 0.000 2.276 31 K HA 0.301 4.622 4.320 0.002 0.000 0.283 31 K C -0.732 175.879 176.600 0.019 0.000 1.044 31 K CA -0.458 55.820 56.287 -0.014 0.000 0.944 31 K CB 0.573 32.890 32.500 -0.305 0.000 1.012 31 K HN 0.206 nan 8.250 nan 0.000 0.472 32 L N 4.402 125.694 121.223 0.115 0.000 2.439 32 L HA 0.342 4.683 4.340 0.002 0.000 0.270 32 L C -1.681 175.138 176.870 -0.086 0.000 0.972 32 L CA -0.905 53.897 54.840 -0.064 0.000 0.836 32 L CB 1.522 43.396 42.059 -0.308 0.000 1.255 32 L HN 0.466 nan 8.230 nan 0.000 0.404 33 L N 6.000 127.178 121.223 -0.075 0.000 2.305 33 L HA 0.664 5.005 4.340 0.002 0.000 0.281 33 L C -0.966 175.810 176.870 -0.158 0.000 1.085 33 L CA 0.046 54.771 54.840 -0.192 0.000 0.813 33 L CB 1.497 43.498 42.059 -0.096 0.000 1.157 33 L HN 0.444 nan 8.230 nan 0.000 0.436 34 V N 6.698 126.499 119.914 -0.189 0.000 2.407 34 V HA 0.390 4.511 4.120 0.002 0.000 0.291 34 V C -0.158 175.994 176.094 0.097 0.000 1.018 34 V CA -0.620 61.673 62.300 -0.010 0.000 0.842 34 V CB 1.462 33.315 31.823 0.051 0.000 0.996 34 V HN 0.552 nan 8.190 nan 0.000 0.426 35 L N 6.049 127.345 121.223 0.122 0.000 2.262 35 L HA 0.602 4.943 4.340 0.002 0.000 0.288 35 L C -0.210 176.776 176.870 0.193 0.000 1.035 35 L CA -0.024 54.908 54.840 0.153 0.000 0.820 35 L CB 1.206 43.345 42.059 0.134 0.000 1.204 35 L HN 0.537 nan 8.230 nan 0.000 0.424 36 M N 1.947 121.689 119.600 0.237 0.000 2.664 36 M HA 0.842 5.323 4.480 0.002 0.000 0.314 36 M C 0.164 176.651 176.300 0.311 0.000 1.200 36 M CA -0.517 54.921 55.300 0.230 0.000 0.916 36 M CB 2.589 35.299 32.600 0.184 0.000 1.717 36 M HN 0.690 nan 8.290 nan 0.000 0.470 37 G N 0.409 109.357 108.800 0.247 0.000 2.345 37 G HA2 0.422 4.383 3.960 0.002 0.000 0.310 37 G HA3 0.422 4.383 3.960 0.002 0.000 0.310 37 G C -1.603 173.398 174.900 0.170 0.000 1.476 37 G CA -0.496 44.793 45.100 0.315 0.000 0.978 37 G HN 0.958 nan 8.290 nan 0.000 0.656 38 A N 0.034 122.948 122.820 0.157 0.000 2.409 38 A HA 0.699 5.020 4.320 0.002 0.000 0.246 38 A C 1.306 178.942 177.584 0.088 0.000 1.099 38 A CA 1.123 53.215 52.037 0.092 0.000 0.789 38 A CB 0.078 19.123 19.000 0.075 0.000 1.053 38 A HN 2.286 nan 8.150 nan 0.000 0.503 39 T N -0.341 114.257 114.554 0.074 0.000 2.905 39 T HA 0.384 4.735 4.350 0.002 0.000 0.299 39 T C 1.370 176.146 174.700 0.126 0.000 1.024 39 T CA 1.632 63.785 62.100 0.088 0.000 1.151 39 T CB -0.544 68.364 68.868 0.068 0.000 0.987 39 T HN 2.421 nan 8.240 nan 0.000 0.535 40 G N 3.393 112.296 108.800 0.171 0.000 2.148 40 G HA2 -0.307 3.655 3.960 0.002 0.000 0.254 40 G HA3 -0.307 3.655 3.960 0.002 0.000 0.254 40 G C 0.741 175.802 174.900 0.269 0.000 0.981 40 G CA 0.912 46.181 45.100 0.281 0.000 0.670 40 G HN 1.443 nan 8.290 nan 0.000 0.528 41 T N -1.931 112.711 114.554 0.146 0.000 3.252 41 T HA 0.439 4.790 4.350 0.002 0.000 0.250 41 T C 2.041 176.990 174.700 0.416 0.000 1.123 41 T CA 1.165 63.285 62.100 0.034 0.000 1.006 41 T CB 0.187 69.037 68.868 -0.030 0.000 0.992 41 T HN 2.165 nan 8.240 nan 0.000 0.547 42 G N 1.434 110.479 108.800 0.408 0.000 2.137 42 G HA2 -0.287 3.674 3.960 0.002 0.000 0.237 42 G HA3 -0.287 3.674 3.960 0.002 0.000 0.237 42 G C 0.685 175.819 174.900 0.391 0.000 1.002 42 G CA 0.346 45.651 45.100 0.342 0.000 0.702 42 G HN 0.548 nan 8.290 nan 0.000 0.515 43 K N 0.359 120.937 120.400 0.297 0.000 2.026 43 K HA 0.012 4.333 4.320 0.002 0.000 0.208 43 K C 2.752 179.493 176.600 0.235 0.000 1.048 43 K CA 1.670 58.113 56.287 0.261 0.000 0.929 43 K CB -0.224 32.401 32.500 0.207 0.000 0.713 43 K HN 0.348 nan 8.250 nan 0.000 0.439 44 S N 0.669 116.489 115.700 0.200 0.000 2.359 44 S HA -0.131 4.340 4.470 0.002 0.000 0.224 44 S C 1.844 176.561 174.600 0.195 0.000 1.035 44 S CA 0.901 59.215 58.200 0.190 0.000 1.018 44 S CB -0.183 63.114 63.200 0.161 0.000 0.876 44 S HN 0.209 nan 8.310 nan 0.000 0.448 45 R N 1.002 121.604 120.500 0.171 0.000 2.112 45 R HA -0.099 4.242 4.340 0.002 0.000 0.242 45 R C 2.303 178.792 176.300 0.315 0.000 1.137 45 R CA 1.431 57.620 56.100 0.148 0.000 0.944 45 R CB -1.262 29.016 30.300 -0.036 0.000 0.857 45 R HN 0.422 nan 8.270 nan 0.000 0.435 46 L N 1.132 122.637 121.223 0.469 0.000 2.083 46 L HA -0.145 4.196 4.340 0.002 0.000 0.209 46 L C 2.344 179.372 176.870 0.264 0.000 1.083 46 L CA 2.422 57.525 54.840 0.440 0.000 0.752 46 L CB -0.806 41.466 42.059 0.356 0.000 0.899 46 L HN 0.296 nan 8.230 nan 0.000 0.433 47 S N -0.771 115.062 115.700 0.222 0.000 2.382 47 S HA -0.152 4.320 4.470 0.002 0.000 0.228 47 S C 1.942 176.647 174.600 0.174 0.000 1.027 47 S CA 1.333 59.634 58.200 0.169 0.000 0.991 47 S CB -0.730 62.552 63.200 0.136 0.000 0.823 47 S HN 0.389 nan 8.310 nan 0.000 0.469 48 I N 2.778 123.464 120.570 0.194 0.000 2.333 48 I HA -0.034 4.137 4.170 0.002 0.000 0.246 48 I C 2.036 178.265 176.117 0.186 0.000 1.106 48 I CA 0.893 62.301 61.300 0.180 0.000 1.411 48 I CB -1.546 36.553 38.000 0.165 0.000 1.082 48 I HN 0.229 nan 8.210 nan 0.000 0.420 49 D N 1.151 121.685 120.400 0.223 0.000 2.123 49 D HA -0.139 4.502 4.640 0.002 0.000 0.196 49 D C 2.398 178.855 176.300 0.262 0.000 0.992 49 D CA 1.056 55.201 54.000 0.242 0.000 0.833 49 D CB -0.172 40.813 40.800 0.307 0.000 0.954 49 D HN 0.284 nan 8.370 nan 0.000 0.455 50 L N 0.546 121.918 121.223 0.249 0.000 2.265 50 L HA -0.096 4.245 4.340 0.002 0.000 0.215 50 L C 2.373 179.442 176.870 0.332 0.000 1.117 50 L CA 0.630 55.657 54.840 0.311 0.000 0.782 50 L CB -0.254 41.980 42.059 0.291 0.000 0.914 50 L HN -0.032 nan 8.230 nan 0.000 0.441 51 A N -0.073 122.885 122.820 0.230 0.000 2.014 51 A HA -0.020 4.301 4.320 0.002 0.000 0.218 51 A C 2.453 180.099 177.584 0.104 0.000 1.163 51 A CA 1.242 53.382 52.037 0.173 0.000 0.652 51 A CB -0.411 18.668 19.000 0.132 0.000 0.808 51 A HN 0.362 nan 8.150 nan 0.000 0.449 52 A N -1.607 121.266 122.820 0.088 0.000 2.168 52 A HA -0.078 4.243 4.320 0.002 0.000 0.215 52 A C 1.815 179.232 177.584 -0.277 0.000 1.152 52 A CA 1.260 53.261 52.037 -0.060 0.000 0.716 52 A CB -0.607 18.354 19.000 -0.065 0.000 0.794 52 A HN 0.703 nan 8.150 nan 0.000 0.465 53 H N -3.080 115.869 119.070 -0.202 0.000 2.788 53 H HA 0.262 4.820 4.556 0.002 0.000 0.262 53 H C -0.794 174.047 175.328 -0.812 0.000 0.968 53 H CA 0.289 55.998 56.048 -0.564 0.000 1.218 53 H CB 0.598 29.828 29.762 -0.886 0.000 1.443 53 H HN 0.455 nan 8.280 nan 0.000 0.478 54 F N 2.178 122.214 119.950 0.144 0.000 2.557 54 F HA 0.326 4.854 4.527 0.002 0.000 0.316 54 F C -2.315 173.521 175.800 0.059 0.000 1.141 54 F CA -3.121 54.932 58.000 0.089 0.000 0.922 54 F CB 1.551 40.606 39.000 0.092 0.000 1.194 54 F HN -0.178 nan 8.300 nan 0.000 0.443 55 P HA 0.222 nan 4.420 nan 0.000 0.265 55 P C -1.092 176.285 177.300 0.129 0.000 1.222 55 P CA 0.210 63.385 63.100 0.125 0.000 0.767 55 P CB 0.765 32.516 31.700 0.085 0.000 0.801 56 L N 0.883 122.173 121.223 0.111 0.000 2.502 56 L HA 0.764 5.105 4.340 0.002 0.000 0.253 56 L C -0.944 175.963 176.870 0.061 0.000 1.070 56 L CA -0.738 54.153 54.840 0.085 0.000 0.871 56 L CB 1.792 43.915 42.059 0.107 0.000 1.487 56 L HN 0.189 nan 8.230 nan 0.000 0.408 57 E N -0.092 120.133 120.200 0.042 0.000 2.356 57 E HA 0.660 5.011 4.350 0.002 0.000 0.275 57 E C -1.640 174.963 176.600 0.006 0.000 0.904 57 E CA -1.015 55.415 56.400 0.050 0.000 0.757 57 E CB 3.067 32.867 29.700 0.165 0.000 1.232 57 E HN 0.443 nan 8.360 nan 0.000 0.442 58 V N 2.883 122.738 119.914 -0.098 0.000 2.472 58 V HA 0.436 4.557 4.120 0.002 0.000 0.290 58 V C -0.204 175.911 176.094 0.035 0.000 1.037 58 V CA -0.517 61.693 62.300 -0.150 0.000 0.908 58 V CB 1.280 32.782 31.823 -0.536 0.000 0.985 58 V HN 0.517 nan 8.190 nan 0.000 0.454 59 I N 4.600 125.210 120.570 0.068 0.000 2.389 59 I HA 0.343 4.514 4.170 0.002 0.000 0.288 59 I C 0.238 176.459 176.117 0.173 0.000 0.999 59 I CA -0.297 61.087 61.300 0.139 0.000 1.129 59 I CB 1.366 39.406 38.000 0.066 0.000 1.288 59 I HN 0.642 nan 8.210 nan 0.000 0.444 60 N N 4.178 123.011 118.700 0.222 0.000 2.497 60 N HA 0.056 4.797 4.740 0.002 0.000 0.271 60 N C 0.452 176.131 175.510 0.282 0.000 1.142 60 N CA 0.015 53.198 53.050 0.223 0.000 0.965 60 N CB 1.079 39.689 38.487 0.204 0.000 1.077 60 N HN 0.725 nan 8.380 nan 0.000 0.462 61 S N 1.243 117.061 115.700 0.196 0.000 2.650 61 S HA 0.017 4.488 4.470 0.002 0.000 0.240 61 S C -0.027 174.549 174.600 -0.039 0.000 1.007 61 S CA -0.647 57.615 58.200 0.104 0.000 0.984 61 S CB 0.126 63.429 63.200 0.172 0.000 0.910 61 S HN 0.629 nan 8.310 nan 0.000 0.509 62 D N 2.991 123.381 120.400 -0.015 0.000 2.295 62 D HA 0.123 4.764 4.640 0.002 0.000 0.248 62 D C 1.069 177.254 176.300 -0.192 0.000 1.154 62 D CA -0.192 53.754 54.000 -0.090 0.000 0.857 62 D CB 1.324 42.119 40.800 -0.008 0.000 1.117 62 D HN 0.477 nan 8.370 nan 0.000 0.468 63 K N 3.392 123.529 120.400 -0.440 0.000 2.362 63 K HA -0.100 4.221 4.320 0.002 0.000 0.200 63 K C 1.296 177.770 176.600 -0.211 0.000 1.046 63 K CA 0.660 56.583 56.287 -0.606 0.000 0.952 63 K CB 0.125 31.885 32.500 -1.234 0.000 0.753 63 K HN 0.314 nan 8.250 nan 0.000 0.466 64 M N 1.167 120.727 119.600 -0.067 0.000 2.357 64 M HA 0.012 4.493 4.480 0.002 0.000 0.266 64 M C 1.754 178.124 176.300 0.117 0.000 1.095 64 M CA 1.342 56.718 55.300 0.126 0.000 1.156 64 M CB -0.450 32.198 32.600 0.079 0.000 1.365 64 M HN 0.247 nan 8.290 nan 0.000 0.447 65 Q N 0.538 120.352 119.800 0.024 0.000 2.500 65 Q HA -0.053 4.288 4.340 0.002 0.000 0.213 65 Q C 1.856 177.863 176.000 0.012 0.000 0.974 65 Q CA 0.926 56.751 55.803 0.037 0.000 0.918 65 Q CB -0.141 28.624 28.738 0.044 0.000 0.980 65 Q HN 0.544 nan 8.270 nan 0.000 0.505 66 V N -3.216 116.637 119.914 -0.103 0.000 2.871 66 V HA -0.047 4.074 4.120 0.002 0.000 0.256 66 V C 0.543 176.528 176.094 -0.183 0.000 1.082 66 V CA 0.470 62.684 62.300 -0.144 0.000 1.105 66 V CB -0.652 31.055 31.823 -0.194 0.000 0.713 66 V HN 0.031 nan 8.190 nan 0.000 0.473 67 Y N 1.649 122.005 120.300 0.094 0.000 2.299 67 Y HA 0.548 5.100 4.550 0.002 0.000 0.326 67 Y C 0.862 176.799 175.900 0.062 0.000 1.164 67 Y CA -1.293 56.856 58.100 0.082 0.000 1.234 67 Y CB 0.592 39.097 38.460 0.075 0.000 1.219 67 Y HN 0.115 nan 8.280 nan 0.000 0.497 68 K N 1.919 122.456 120.400 0.228 0.000 2.350 68 K HA 0.541 4.862 4.320 0.002 0.000 0.279 68 K C 0.174 176.855 176.600 0.135 0.000 1.027 68 K CA 0.111 56.483 56.287 0.141 0.000 0.969 68 K CB 0.407 32.979 32.500 0.120 0.000 0.954 68 K HN 0.932 nan 8.250 nan 0.000 0.474 69 G N 1.093 109.941 108.800 0.080 0.000 2.428 69 G HA2 -0.074 3.887 3.960 0.002 0.000 0.681 69 G HA3 -0.074 3.887 3.960 0.002 0.000 0.681 69 G C -0.414 174.460 174.900 -0.043 0.000 1.340 69 G CA -1.134 43.987 45.100 0.035 0.000 0.915 69 G HN 0.620 nan 8.290 nan 0.000 0.645 70 L N -0.155 120.991 121.223 -0.128 0.000 3.854 70 L HA -0.240 4.101 4.340 0.002 0.000 0.460 70 L C 1.425 178.253 176.870 -0.070 0.000 1.228 70 L CA 0.766 55.508 54.840 -0.163 0.000 0.760 70 L CB -1.052 40.823 42.059 -0.306 0.000 1.597 70 L HN 0.734 nan 8.230 nan 0.000 0.852 71 D N 0.359 120.740 120.400 -0.032 0.000 2.158 71 D HA -0.164 4.477 4.640 0.002 0.000 0.197 71 D C 1.956 178.249 176.300 -0.011 0.000 0.995 71 D CA 1.692 55.685 54.000 -0.010 0.000 0.846 71 D CB 0.158 40.955 40.800 -0.004 0.000 0.941 71 D HN 0.626 nan 8.370 nan 0.000 0.456 72 I N 0.669 121.229 120.570 -0.017 0.000 2.162 72 I HA -0.207 3.965 4.170 0.002 0.000 0.238 72 I C 2.343 178.456 176.117 -0.007 0.000 1.076 72 I CA 1.067 62.362 61.300 -0.008 0.000 1.353 72 I CB -0.476 37.521 38.000 -0.005 0.000 1.063 72 I HN -0.068 nan 8.210 nan 0.000 0.408 73 T N 0.064 114.606 114.554 -0.020 0.000 2.737 73 T HA -0.194 4.157 4.350 0.002 0.000 0.269 73 T C 1.727 176.424 174.700 -0.006 0.000 1.040 73 T CA 2.117 64.209 62.100 -0.014 0.000 1.142 73 T CB -0.568 68.273 68.868 -0.045 0.000 0.861 73 T HN 0.545 nan 8.240 nan 0.000 0.456 74 T N -0.747 113.801 114.554 -0.010 0.000 3.100 74 T HA 0.116 4.467 4.350 0.002 0.000 0.253 74 T C 0.575 175.289 174.700 0.023 0.000 1.118 74 T CA 0.229 62.335 62.100 0.010 0.000 1.058 74 T CB -0.540 68.340 68.868 0.020 0.000 0.953 74 T HN 0.516 nan 8.240 nan 0.000 0.515 75 N N 0.701 119.413 118.700 0.021 0.000 2.758 75 N HA -0.139 4.602 4.740 0.002 0.000 0.248 75 N C -0.805 174.726 175.510 0.036 0.000 1.076 75 N CA 0.345 53.413 53.050 0.031 0.000 0.696 75 N CB -1.470 37.045 38.487 0.046 0.000 0.979 75 N HN 0.558 nan 8.380 nan 0.000 0.550 76 K N 0.690 121.105 120.400 0.024 0.000 2.350 76 K HA 0.228 4.549 4.320 0.002 0.000 0.279 76 K C 0.661 177.268 176.600 0.011 0.000 1.027 76 K CA -0.476 55.824 56.287 0.023 0.000 0.969 76 K CB 1.004 33.511 32.500 0.012 0.000 0.954 76 K HN 0.283 nan 8.250 nan 0.000 0.474 77 I N 2.944 123.522 120.570 0.013 0.000 2.752 77 I HA -0.127 4.044 4.170 0.002 0.000 0.289 77 I C 0.518 176.609 176.117 -0.045 0.000 1.197 77 I CA 0.299 61.597 61.300 -0.003 0.000 1.432 77 I CB 0.504 38.514 38.000 0.016 0.000 1.359 77 I HN 0.717 nan 8.210 nan 0.000 0.571 78 S N 5.621 121.301 115.700 -0.033 0.000 2.568 78 S HA 0.053 4.524 4.470 0.002 0.000 0.282 78 S C 1.153 175.713 174.600 -0.067 0.000 1.338 78 S CA -0.569 57.606 58.200 -0.041 0.000 1.045 78 S CB 1.493 64.677 63.200 -0.026 0.000 0.873 78 S HN 0.553 nan 8.310 nan 0.000 0.516 79 V N 2.847 122.720 119.914 -0.067 0.000 2.343 79 V HA -0.056 4.065 4.120 0.002 0.000 0.247 79 V C -0.522 175.541 176.094 -0.052 0.000 1.051 79 V CA 1.540 63.791 62.300 -0.081 0.000 1.036 79 V CB -2.111 29.675 31.823 -0.061 0.000 0.654 79 V HN 0.706 nan 8.190 nan 0.000 0.451 80 P HA -0.128 nan 4.420 nan 0.000 0.216 80 P C 0.981 178.273 177.300 -0.013 0.000 1.150 80 P CA 1.452 64.540 63.100 -0.018 0.000 0.843 80 P CB -0.090 31.601 31.700 -0.015 0.000 0.787 81 D N -1.520 118.869 120.400 -0.018 0.000 2.363 81 D HA -0.003 4.638 4.640 0.002 0.000 0.226 81 D C 1.526 177.832 176.300 0.011 0.000 1.020 81 D CA 0.419 54.415 54.000 -0.005 0.000 0.892 81 D CB -0.269 40.526 40.800 -0.009 0.000 0.900 81 D HN 0.251 nan 8.370 nan 0.000 0.531 82 R N -0.190 120.305 120.500 -0.008 0.000 2.313 82 R HA 0.145 4.486 4.340 0.002 0.000 0.199 82 R C 1.347 177.701 176.300 0.091 0.000 0.958 82 R CA 0.461 56.584 56.100 0.039 0.000 1.047 82 R CB 0.192 30.426 30.300 -0.110 0.000 0.955 82 R HN 0.028 nan 8.270 nan 0.000 0.481 83 G N 0.821 109.652 108.800 0.051 0.000 2.233 83 G HA2 -0.303 3.658 3.960 0.002 0.000 0.270 83 G HA3 -0.303 3.658 3.960 0.002 0.000 0.270 83 G C 0.811 175.743 174.900 0.054 0.000 1.011 83 G CA 0.577 45.708 45.100 0.052 0.000 0.762 83 G HN 0.595 nan 8.290 nan 0.000 0.511 84 G N -3.047 105.784 108.800 0.051 0.000 2.157 84 G HA2 -0.051 3.910 3.960 0.002 0.000 0.248 84 G HA3 -0.051 3.910 3.960 0.002 0.000 0.248 84 G C 0.503 175.449 174.900 0.077 0.000 0.979 84 G CA 0.491 45.621 45.100 0.049 0.000 0.650 84 G HN 1.629 nan 8.290 nan 0.000 0.529 85 V N 1.820 121.808 119.914 0.124 0.000 2.637 85 V HA 0.382 4.503 4.120 0.002 0.000 0.296 85 V C -1.399 174.813 176.094 0.197 0.000 1.046 85 V CA -0.922 61.467 62.300 0.148 0.000 1.066 85 V CB 1.241 33.167 31.823 0.173 0.000 0.968 85 V HN 0.159 nan 8.190 nan 0.000 0.483 86 P HA 0.292 nan 4.420 nan 0.000 0.281 86 P C -0.617 176.632 177.300 -0.085 0.000 1.252 86 P CA 0.026 63.139 63.100 0.022 0.000 0.778 86 P CB 0.315 32.017 31.700 0.003 0.000 0.895 87 H N 2.077 120.983 119.070 -0.274 0.000 2.569 87 H HA 0.420 4.978 4.556 0.002 0.000 0.357 87 H C -0.027 175.012 175.328 -0.481 0.000 1.153 87 H CA -0.564 55.344 56.048 -0.233 0.000 1.193 87 H CB 1.729 31.451 29.762 -0.067 0.000 1.602 87 H HN 0.558 nan 8.280 nan 0.000 0.523 88 H N 2.208 121.345 119.070 0.112 0.000 2.747 88 H HA 0.149 4.707 4.556 0.002 0.000 0.371 88 H C 0.623 176.013 175.328 0.102 0.000 1.161 88 H CA -0.816 55.279 56.048 0.077 0.000 1.167 88 H CB 2.534 32.308 29.762 0.021 0.000 1.732 88 H HN 0.518 nan 8.280 nan 0.000 0.544 89 L N 0.935 122.280 121.223 0.203 0.000 3.865 89 L HA -0.245 4.096 4.340 0.002 0.000 0.408 89 L C -0.609 176.359 176.870 0.164 0.000 1.209 89 L CA 0.358 55.309 54.840 0.184 0.000 0.940 89 L CB -1.283 40.932 42.059 0.261 0.000 1.971 89 L HN 0.354 nan 8.230 nan 0.000 0.899 90 L N 0.123 121.425 121.223 0.131 0.000 2.353 90 L HA 0.671 5.012 4.340 0.002 0.000 0.270 90 L C 1.007 177.919 176.870 0.070 0.000 1.003 90 L CA 0.947 55.851 54.840 0.107 0.000 0.862 90 L CB 1.341 43.480 42.059 0.133 0.000 1.221 90 L HN 0.274 nan 8.230 nan 0.000 0.430 91 G N 3.130 111.968 108.800 0.064 0.000 2.246 91 G HA2 -0.258 3.703 3.960 0.002 0.000 0.273 91 G HA3 -0.258 3.703 3.960 0.002 0.000 0.273 91 G C 0.464 175.408 174.900 0.074 0.000 1.055 91 G CA 0.725 45.866 45.100 0.069 0.000 0.851 91 G HN 0.696 nan 8.290 nan 0.000 0.500 92 E N -1.508 118.736 120.200 0.073 0.000 2.601 92 E HA 0.227 4.578 4.350 0.002 0.000 0.219 92 E C 0.584 177.238 176.600 0.091 0.000 0.964 92 E CA -0.164 56.282 56.400 0.076 0.000 1.050 92 E CB 1.225 30.966 29.700 0.068 0.000 1.068 92 E HN 0.349 nan 8.360 nan 0.000 0.496 93 V N 2.342 122.317 119.914 0.103 0.000 2.465 93 V HA 0.076 4.197 4.120 0.002 0.000 0.279 93 V C 0.075 176.316 176.094 0.244 0.000 1.045 93 V CA -0.706 61.683 62.300 0.148 0.000 0.938 93 V CB 1.381 33.259 31.823 0.092 0.000 0.986 93 V HN 0.077 nan 8.190 nan 0.000 0.467 94 D N 7.667 128.188 120.400 0.203 0.000 2.352 94 D HA 0.162 4.803 4.640 0.002 0.000 0.245 94 D C -1.090 175.335 176.300 0.207 0.000 1.224 94 D CA -1.900 52.208 54.000 0.180 0.000 0.879 94 D CB 1.857 42.728 40.800 0.117 0.000 1.057 94 D HN 0.265 nan 8.370 nan 0.000 0.491 95 P HA -0.238 nan 4.420 nan 0.000 0.217 95 P C 1.129 178.441 177.300 0.020 0.000 1.148 95 P CA 1.182 64.298 63.100 0.027 0.000 0.834 95 P CB 0.178 31.872 31.700 -0.010 0.000 0.783 96 A N 0.894 123.743 122.820 0.048 0.000 1.948 96 A HA -0.202 4.119 4.320 0.002 0.000 0.220 96 A C 2.201 179.807 177.584 0.036 0.000 1.177 96 A CA 1.454 53.506 52.037 0.025 0.000 0.636 96 A CB -1.203 17.812 19.000 0.026 0.000 0.815 96 A HN 0.183 nan 8.150 nan 0.000 0.449 97 R N -0.480 120.063 120.500 0.070 0.000 2.346 97 R HA 0.253 4.594 4.340 0.002 0.000 0.199 97 R C 1.069 177.423 176.300 0.090 0.000 1.015 97 R CA 0.362 56.509 56.100 0.079 0.000 1.058 97 R CB -0.700 29.658 30.300 0.097 0.000 0.921 97 R HN 0.717 nan 8.270 nan 0.000 0.475 98 G N 1.481 110.327 108.800 0.076 0.000 2.627 98 G HA2 -0.282 3.679 3.960 0.002 0.000 0.214 98 G HA3 -0.282 3.679 3.960 0.002 0.000 0.214 98 G C -0.911 174.081 174.900 0.152 0.000 1.331 98 G CA -0.663 44.484 45.100 0.079 0.000 0.891 98 G HN 0.314 nan 8.290 nan 0.000 0.539 99 E N -0.920 119.378 120.200 0.164 0.000 2.354 99 E HA 0.429 4.780 4.350 0.002 0.000 0.269 99 E C 0.029 176.820 176.600 0.318 0.000 1.036 99 E CA -0.696 55.868 56.400 0.273 0.000 0.876 99 E CB 0.829 30.653 29.700 0.207 0.000 1.009 99 E HN 0.653 nan 8.360 nan 0.000 0.416 100 L N 5.261 126.737 121.223 0.421 0.000 2.312 100 L HA 0.176 4.517 4.340 0.002 0.000 0.287 100 L C 0.054 177.134 176.870 0.350 0.000 1.091 100 L CA 0.040 55.062 54.840 0.304 0.000 0.846 100 L CB 0.292 42.486 42.059 0.225 0.000 1.219 100 L HN 0.582 nan 8.230 nan 0.000 0.439 101 T N 2.445 117.149 114.554 0.251 0.000 2.813 101 T HA 0.279 4.631 4.350 0.002 0.000 0.297 101 T C -1.729 173.092 174.700 0.202 0.000 1.036 101 T CA -1.190 61.069 62.100 0.266 0.000 1.044 101 T CB 0.683 69.672 68.868 0.203 0.000 0.993 101 T HN 0.471 nan 8.240 nan 0.000 0.535 102 P HA 0.036 nan 4.420 nan 0.000 0.220 102 P C 1.441 178.687 177.300 -0.090 0.000 1.148 102 P CA 1.188 64.337 63.100 0.082 0.000 0.803 102 P CB -0.218 31.697 31.700 0.358 0.000 0.782 103 A N -0.307 122.579 122.820 0.111 0.000 1.930 103 A HA -0.150 4.171 4.320 0.002 0.000 0.215 103 A C 1.928 179.506 177.584 -0.010 0.000 1.176 103 A CA 1.523 53.621 52.037 0.102 0.000 0.632 103 A CB -1.128 18.038 19.000 0.276 0.000 0.819 103 A HN 0.064 nan 8.150 nan 0.000 0.445 104 D N -0.753 119.652 120.400 0.009 0.000 2.117 104 D HA -0.147 4.494 4.640 0.002 0.000 0.197 104 D C 1.608 177.844 176.300 -0.108 0.000 0.987 104 D CA 1.232 55.223 54.000 -0.015 0.000 0.829 104 D CB -0.452 40.373 40.800 0.041 0.000 0.961 104 D HN 0.442 nan 8.370 nan 0.000 0.460 105 F N 2.058 121.783 119.950 -0.374 0.000 2.102 105 F HA -0.147 4.381 4.527 0.002 0.000 0.298 105 F C 2.456 178.036 175.800 -0.367 0.000 1.105 105 F CA 1.440 59.119 58.000 -0.536 0.000 1.239 105 F CB -0.192 38.044 39.000 -1.272 0.000 0.991 105 F HN -0.222 nan 8.300 nan 0.000 0.474 106 R N -0.133 120.110 120.500 -0.428 0.000 2.103 106 R HA -0.213 4.128 4.340 0.002 0.000 0.242 106 R C 2.545 178.649 176.300 -0.327 0.000 1.142 106 R CA 1.908 57.768 56.100 -0.399 0.000 0.960 106 R CB -0.833 29.255 30.300 -0.353 0.000 0.858 106 R HN 0.428 nan 8.270 nan 0.000 0.439 107 S N 0.276 115.833 115.700 -0.238 0.000 2.338 107 S HA -0.101 4.370 4.470 0.002 0.000 0.218 107 S C 2.094 176.573 174.600 -0.202 0.000 1.032 107 S CA 1.260 59.361 58.200 -0.165 0.000 0.999 107 S CB -0.323 62.819 63.200 -0.096 0.000 0.905 107 S HN 0.413 nan 8.310 nan 0.000 0.439 108 L N 1.103 122.184 121.223 -0.237 0.000 2.012 108 L HA -0.119 4.222 4.340 0.002 0.000 0.210 108 L C 3.062 179.748 176.870 -0.307 0.000 1.073 108 L CA 1.575 56.281 54.840 -0.223 0.000 0.748 108 L CB -0.803 41.147 42.059 -0.182 0.000 0.891 108 L HN 0.510 nan 8.230 nan 0.000 0.431 109 A N -0.099 122.391 122.820 -0.550 0.000 1.968 109 A HA -0.039 4.283 4.320 0.002 0.000 0.217 109 A C 2.370 179.748 177.584 -0.343 0.000 1.169 109 A CA 1.340 53.043 52.037 -0.555 0.000 0.638 109 A CB -1.031 17.328 19.000 -1.069 0.000 0.812 109 A HN 0.449 nan 8.150 nan 0.000 0.446 110 G N -0.049 108.590 108.800 -0.269 0.000 2.422 110 G HA2 -0.227 3.734 3.960 0.002 0.000 0.218 110 G HA3 -0.227 3.734 3.960 0.002 0.000 0.218 110 G C 1.656 176.494 174.900 -0.103 0.000 1.146 110 G CA 1.135 46.178 45.100 -0.096 0.000 0.769 110 G HN 0.569 nan 8.290 nan 0.000 0.547 111 K N 0.521 120.839 120.400 -0.136 0.000 2.002 111 K HA 0.041 4.362 4.320 0.002 0.000 0.209 111 K C 2.966 179.477 176.600 -0.148 0.000 1.048 111 K CA 1.115 57.333 56.287 -0.114 0.000 0.930 111 K CB -0.264 32.173 32.500 -0.104 0.000 0.714 111 K HN 0.248 nan 8.250 nan 0.000 0.438 112 A N 0.936 123.632 122.820 -0.206 0.000 1.933 112 A HA -0.130 4.191 4.320 0.002 0.000 0.218 112 A C 2.357 179.766 177.584 -0.291 0.000 1.175 112 A CA 1.433 53.289 52.037 -0.302 0.000 0.628 112 A CB -0.672 18.117 19.000 -0.352 0.000 0.814 112 A HN 0.087 nan 8.150 nan 0.000 0.444 113 V N -0.670 119.093 119.914 -0.251 0.000 2.343 113 V HA -0.210 3.911 4.120 0.002 0.000 0.247 113 V C 2.798 178.784 176.094 -0.180 0.000 1.051 113 V CA 2.321 64.462 62.300 -0.265 0.000 1.036 113 V CB -0.673 30.915 31.823 -0.392 0.000 0.654 113 V HN 0.638 nan 8.190 nan 0.000 0.451 114 S N -0.825 114.803 115.700 -0.121 0.000 2.383 114 S HA -0.211 4.260 4.470 0.002 0.000 0.227 114 S C 1.947 176.497 174.600 -0.083 0.000 1.026 114 S CA 1.812 59.969 58.200 -0.070 0.000 0.981 114 S CB -0.158 63.017 63.200 -0.042 0.000 0.818 114 S HN 0.721 nan 8.310 nan 0.000 0.472 115 E N 0.362 120.495 120.200 -0.111 0.000 2.072 115 E HA -0.033 4.318 4.350 0.002 0.000 0.191 115 E C 1.959 178.502 176.600 -0.096 0.000 0.985 115 E CA 1.251 57.592 56.400 -0.100 0.000 0.801 115 E CB -0.151 29.478 29.700 -0.119 0.000 0.750 115 E HN 0.536 nan 8.360 nan 0.000 0.452 116 I N 0.754 121.242 120.570 -0.138 0.000 2.179 116 I HA -0.255 3.917 4.170 0.002 0.000 0.242 116 I C 2.297 178.374 176.117 -0.066 0.000 1.088 116 I CA 1.169 62.408 61.300 -0.101 0.000 1.357 116 I CB -0.341 37.579 38.000 -0.134 0.000 1.051 116 I HN 0.088 nan 8.210 nan 0.000 0.409 117 T N 0.481 114.988 114.554 -0.078 0.000 2.788 117 T HA -0.132 4.219 4.350 0.002 0.000 0.268 117 T C 1.966 176.639 174.700 -0.044 0.000 1.044 117 T CA 1.414 63.477 62.100 -0.061 0.000 1.139 117 T CB -0.788 68.041 68.868 -0.064 0.000 0.867 117 T HN 0.599 nan 8.240 nan 0.000 0.454 118 G N 1.721 110.495 108.800 -0.044 0.000 2.446 118 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 118 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 118 G C 1.483 176.370 174.900 -0.022 0.000 1.168 118 G CA 0.268 45.350 45.100 -0.031 0.000 0.771 118 G HN 0.441 nan 8.290 nan 0.000 0.551 119 R N -0.182 120.307 120.500 -0.019 0.000 2.328 119 R HA 0.245 4.586 4.340 0.002 0.000 0.206 119 R C 0.694 176.992 176.300 -0.003 0.000 0.990 119 R CA -0.054 56.043 56.100 -0.005 0.000 1.085 119 R CB -0.020 30.284 30.300 0.006 0.000 0.998 119 R HN 0.250 nan 8.270 nan 0.000 0.484 120 R N 0.259 120.751 120.500 -0.013 0.000 3.770 120 R HA -0.178 4.163 4.340 0.002 0.000 0.305 120 R C -0.765 175.533 176.300 -0.003 0.000 1.184 120 R CA 1.093 57.186 56.100 -0.012 0.000 0.823 120 R CB -1.165 29.131 30.300 -0.007 0.000 1.285 120 R HN 0.217 nan 8.270 nan 0.000 0.499 121 K N 0.553 120.952 120.400 -0.003 0.000 2.221 121 K HA 0.370 4.691 4.320 0.002 0.000 0.243 121 K C -0.265 176.331 176.600 -0.007 0.000 0.968 121 K CA -1.129 55.166 56.287 0.013 0.000 0.846 121 K CB 1.523 34.041 32.500 0.031 0.000 1.141 121 K HN -0.086 nan 8.250 nan 0.000 0.434 122 L N 4.180 125.407 121.223 0.007 0.000 2.360 122 L HA 0.211 4.553 4.340 0.002 0.000 0.276 122 L C -2.371 174.487 176.870 -0.021 0.000 1.121 122 L CA -1.206 53.624 54.840 -0.017 0.000 0.845 122 L CB 0.384 42.437 42.059 -0.010 0.000 1.143 122 L HN 0.390 nan 8.230 nan 0.000 0.452 123 P HA 0.166 nan 4.420 nan 0.000 0.285 123 P C -1.411 175.851 177.300 -0.064 0.000 1.259 123 P CA -0.257 62.794 63.100 -0.082 0.000 0.794 123 P CB 1.533 33.138 31.700 -0.159 0.000 0.940 124 V N 4.658 124.547 119.914 -0.041 0.000 2.409 124 V HA 0.166 4.287 4.120 0.002 0.000 0.290 124 V C 0.167 176.261 176.094 0.001 0.000 1.017 124 V CA -0.815 61.472 62.300 -0.021 0.000 0.841 124 V CB 1.564 33.390 31.823 0.004 0.000 1.003 124 V HN 0.397 nan 8.190 nan 0.000 0.426 125 L N 6.820 128.049 121.223 0.010 0.000 2.325 125 L HA 0.471 4.812 4.340 0.002 0.000 0.284 125 L C -0.235 176.700 176.870 0.108 0.000 1.089 125 L CA 0.565 55.450 54.840 0.075 0.000 0.836 125 L CB 1.057 43.171 42.059 0.093 0.000 1.184 125 L HN 0.491 nan 8.230 nan 0.000 0.444 126 V N 5.341 125.330 119.914 0.125 0.000 2.350 126 V HA 0.964 5.085 4.120 0.002 0.000 0.285 126 V C 0.399 176.577 176.094 0.140 0.000 1.014 126 V CA 0.054 62.434 62.300 0.133 0.000 0.831 126 V CB 0.708 32.607 31.823 0.126 0.000 1.000 126 V HN 0.982 nan 8.190 nan 0.000 0.433 127 G N 3.052 111.932 108.800 0.134 0.000 2.336 127 G HA2 0.460 4.421 3.960 0.002 0.000 0.300 127 G HA3 0.460 4.421 3.960 0.002 0.000 0.300 127 G C 0.004 174.956 174.900 0.087 0.000 1.375 127 G CA -0.002 45.160 45.100 0.103 0.000 0.885 127 G HN 0.914 nan 8.290 nan 0.000 0.599 128 G N -0.662 108.163 108.800 0.043 0.000 3.651 128 G HA2 0.421 4.382 3.960 0.002 0.000 0.279 128 G HA3 0.421 4.382 3.960 0.002 0.000 0.279 128 G C 0.336 175.219 174.900 -0.029 0.000 1.024 128 G CA 0.679 45.794 45.100 0.024 0.000 0.813 128 G HN 0.882 nan 8.290 nan 0.000 0.518 129 S N 1.738 117.393 115.700 -0.074 0.000 2.473 129 S HA 0.152 4.623 4.470 0.002 0.000 0.312 129 S C 1.133 175.707 174.600 -0.044 0.000 1.087 129 S CA -0.696 57.417 58.200 -0.146 0.000 1.077 129 S CB 0.695 63.657 63.200 -0.397 0.000 1.065 129 S HN 0.293 nan 8.310 nan 0.000 0.510 130 N N 2.363 121.047 118.700 -0.027 0.000 2.272 130 N HA -0.132 4.609 4.740 0.002 0.000 0.185 130 N C 2.022 177.584 175.510 0.087 0.000 1.014 130 N CA 1.354 54.410 53.050 0.011 0.000 0.870 130 N CB -0.171 38.274 38.487 -0.071 0.000 0.975 130 N HN 0.702 nan 8.380 nan 0.000 0.433 131 S N -0.064 115.680 115.700 0.072 0.000 2.406 131 S HA -0.015 4.456 4.470 0.002 0.000 0.228 131 S C 1.793 176.616 174.600 0.372 0.000 1.020 131 S CA 0.455 58.771 58.200 0.193 0.000 0.965 131 S CB -0.330 62.955 63.200 0.141 0.000 0.798 131 S HN 0.075 nan 8.310 nan 0.000 0.488 132 F N 1.678 121.600 119.950 -0.047 0.000 2.219 132 F HA 0.373 4.901 4.527 0.002 0.000 0.294 132 F C 2.132 177.977 175.800 0.075 0.000 1.086 132 F CA -0.780 57.113 58.000 -0.178 0.000 1.330 132 F CB -0.847 37.671 39.000 -0.802 0.000 1.047 132 F HN 0.183 nan 8.300 nan 0.000 0.495 133 I N -0.526 120.221 120.570 0.295 0.000 2.179 133 I HA -0.347 3.824 4.170 0.002 0.000 0.242 133 I C 2.792 179.128 176.117 0.366 0.000 1.088 133 I CA 1.760 63.261 61.300 0.335 0.000 1.357 133 I CB -0.663 37.516 38.000 0.299 0.000 1.051 133 I HN 0.203 nan 8.210 nan 0.000 0.409 134 H N 1.759 120.985 119.070 0.261 0.000 2.321 134 H HA -0.142 4.415 4.556 0.002 0.000 0.300 134 H C 2.177 177.624 175.328 0.198 0.000 1.087 134 H CA 1.875 58.094 56.048 0.284 0.000 1.319 134 H CB -0.038 29.852 29.762 0.214 0.000 1.379 134 H HN 0.294 nan 8.280 nan 0.000 0.501 135 A N 1.619 124.413 122.820 -0.044 0.000 1.892 135 A HA -0.181 4.140 4.320 0.002 0.000 0.218 135 A C 2.662 179.967 177.584 -0.465 0.000 1.188 135 A CA 1.827 53.482 52.037 -0.637 0.000 0.631 135 A CB -1.026 17.531 19.000 -0.738 0.000 0.822 135 A HN 0.478 nan 8.150 nan 0.000 0.447 136 L N -0.516 120.647 121.223 -0.101 0.000 2.056 136 L HA -0.040 4.301 4.340 0.002 0.000 0.207 136 L C 2.196 179.104 176.870 0.064 0.000 1.078 136 L CA 1.670 56.496 54.840 -0.023 0.000 0.749 136 L CB -0.309 41.819 42.059 0.115 0.000 0.901 136 L HN 0.392 nan 8.230 nan 0.000 0.433 137 L N -0.479 120.818 121.223 0.123 0.000 2.179 137 L HA 0.032 4.373 4.340 0.002 0.000 0.208 137 L C 1.119 177.993 176.870 0.008 0.000 1.096 137 L CA 0.278 55.208 54.840 0.150 0.000 0.779 137 L CB -0.658 41.541 42.059 0.234 0.000 0.922 137 L HN 0.224 nan 8.230 nan 0.000 0.443 138 V N -3.006 116.891 119.914 -0.027 0.000 3.287 138 V HA -0.035 4.086 4.120 0.002 0.000 0.306 138 V C 1.236 177.300 176.094 -0.051 0.000 1.103 138 V CA -0.162 62.127 62.300 -0.018 0.000 1.159 138 V CB 0.756 32.580 31.823 0.001 0.000 1.036 138 V HN 0.128 nan 8.190 nan 0.000 0.487 139 D N 0.823 121.203 120.400 -0.032 0.000 2.123 139 D HA 0.006 4.647 4.640 0.002 0.000 0.200 139 D C 0.869 177.162 176.300 -0.011 0.000 0.976 139 D CA 1.300 55.269 54.000 -0.052 0.000 0.831 139 D CB 0.267 41.044 40.800 -0.038 0.000 0.974 139 D HN 0.593 nan 8.370 nan 0.000 0.469 140 R N 0.150 120.671 120.500 0.035 0.000 2.476 140 R HA 0.182 4.523 4.340 0.002 0.000 0.305 140 R C -1.011 175.367 176.300 0.131 0.000 0.965 140 R CA -0.762 55.374 56.100 0.060 0.000 0.867 140 R CB 1.558 31.878 30.300 0.033 0.000 1.176 140 R HN -0.069 nan 8.270 nan 0.000 0.447 141 F N 2.881 122.819 119.950 -0.020 0.000 2.410 141 F HA 0.119 4.647 4.527 0.002 0.000 0.348 141 F C 0.424 176.247 175.800 0.039 0.000 1.106 141 F CA -1.026 56.971 58.000 -0.004 0.000 1.163 141 F CB 0.823 39.816 39.000 -0.010 0.000 1.129 141 F HN 0.354 nan 8.300 nan 0.000 0.516 142 D N 4.354 124.387 120.400 -0.612 0.000 2.483 142 D HA 0.094 4.735 4.640 0.002 0.000 0.220 142 D C 0.962 176.691 176.300 -0.953 0.000 1.173 142 D CA 0.233 53.921 54.000 -0.520 0.000 0.964 142 D CB 0.696 41.361 40.800 -0.225 0.000 1.046 142 D HN 0.635 nan 8.370 nan 0.000 0.517 143 S N 1.674 116.929 115.700 -0.742 0.000 2.404 143 S HA -0.226 4.245 4.470 0.002 0.000 0.230 143 S C 1.495 175.933 174.600 -0.269 0.000 1.046 143 S CA 1.630 59.549 58.200 -0.469 0.000 1.135 143 S CB -0.342 62.777 63.200 -0.134 0.000 1.056 143 S HN 0.611 nan 8.310 nan 0.000 0.426 144 S N 1.368 116.968 115.700 -0.167 0.000 2.699 144 S HA 0.468 4.939 4.470 0.002 0.000 0.251 144 S C 1.389 175.936 174.600 -0.089 0.000 1.179 144 S CA -0.010 58.140 58.200 -0.083 0.000 1.200 144 S CB -0.015 63.157 63.200 -0.046 0.000 0.848 144 S HN 0.499 nan 8.310 nan 0.000 0.472 145 G N 3.451 112.168 108.800 -0.138 0.000 2.631 145 G HA2 -0.117 3.845 3.960 0.002 0.000 0.219 145 G HA3 -0.117 3.845 3.960 0.002 0.000 0.219 145 G C -0.659 174.217 174.900 -0.041 0.000 1.214 145 G CA 0.659 45.706 45.100 -0.088 0.000 0.785 145 G HN 0.646 nan 8.290 nan 0.000 0.596 161 L N 2.693 123.872 121.223 -0.074 0.000 2.312 161 L HA 0.477 4.818 4.340 0.002 0.000 0.281 161 L C 1.449 178.221 176.870 -0.163 0.000 1.070 161 L CA -0.207 54.564 54.840 -0.114 0.000 0.805 161 L CB 1.160 43.126 42.059 -0.155 0.000 1.174 161 L HN 0.475 nan 8.230 nan 0.000 0.434 162 R N 1.527 121.867 120.500 -0.267 0.000 2.115 162 R HA -0.041 4.300 4.340 0.002 0.000 0.230 162 R C -0.284 175.634 176.300 -0.637 0.000 1.111 162 R CA 1.310 57.100 56.100 -0.517 0.000 0.976 162 R CB 0.215 30.040 30.300 -0.792 0.000 0.870 162 R HN 0.463 nan 8.270 nan 0.000 0.445 163 Y N -1.455 118.799 120.300 -0.077 0.000 2.675 163 Y HA 0.244 4.795 4.550 0.002 0.000 0.328 163 Y C -0.449 175.403 175.900 -0.080 0.000 1.092 163 Y CA -1.727 56.328 58.100 -0.076 0.000 1.190 163 Y CB 0.580 38.992 38.460 -0.081 0.000 1.350 163 Y HN -0.178 nan 8.280 nan 0.000 0.525 164 D N 0.682 121.170 120.400 0.148 0.000 2.456 164 D HA 0.301 4.942 4.640 0.002 0.000 0.219 164 D C -1.236 175.146 176.300 0.137 0.000 1.126 164 D CA -0.103 53.957 54.000 0.100 0.000 0.890 164 D CB -0.188 40.662 40.800 0.084 0.000 1.025 164 D HN 0.462 nan 8.370 nan 0.000 0.511 165 C N 2.837 122.076 119.300 -0.101 0.000 2.405 165 C HA 0.593 5.054 4.460 0.002 0.000 0.365 165 C C 0.443 174.959 174.990 -0.789 0.000 1.233 165 C CA -1.028 57.698 59.018 -0.486 0.000 2.230 165 C CB 0.481 27.653 27.740 -0.948 0.000 2.443 165 C HN 0.744 nan 8.230 nan 0.000 0.556 166 C N 3.278 121.890 119.300 -1.147 0.000 2.396 166 C HA 0.767 5.228 4.460 0.002 0.000 0.321 166 C C -1.107 173.416 174.990 -0.778 0.000 1.233 166 C CA -0.590 57.755 59.018 -1.121 0.000 1.440 166 C CB -0.944 25.695 27.740 -1.834 0.000 2.110 166 C HN 0.781 nan 8.230 nan 0.000 0.473 167 F N 6.468 126.296 119.950 -0.202 0.000 2.375 167 F HA 0.570 5.098 4.527 0.002 0.000 0.361 167 F C 0.178 175.979 175.800 0.002 0.000 1.117 167 F CA -0.596 57.376 58.000 -0.047 0.000 1.037 167 F CB 1.048 40.083 39.000 0.057 0.000 1.192 167 F HN 0.309 nan 8.300 nan 0.000 0.452 168 L N 3.195 124.528 121.223 0.182 0.000 2.282 168 L HA 0.325 4.666 4.340 0.002 0.000 0.288 168 L C -1.091 175.947 176.870 0.280 0.000 1.033 168 L CA -0.665 54.269 54.840 0.158 0.000 0.807 168 L CB 1.247 43.343 42.059 0.062 0.000 1.209 168 L HN 0.645 nan 8.230 nan 0.000 0.423 169 W N 5.556 126.890 121.300 0.057 0.000 2.318 169 W HA 0.531 5.192 4.660 0.001 0.000 0.315 169 W C -1.333 175.195 176.519 0.016 0.000 1.033 169 W CA -1.114 56.259 57.345 0.046 0.000 1.275 169 W CB 1.095 30.575 29.460 0.032 0.000 1.250 169 W HN 0.064 nan 8.180 nan 0.000 0.421 170 V N 7.237 127.213 119.914 0.104 0.000 2.389 170 V HA 0.112 4.233 4.120 0.002 0.000 0.264 170 V C -0.173 175.760 176.094 -0.268 0.000 1.049 170 V CA -0.077 62.168 62.300 -0.091 0.000 0.932 170 V CB 0.659 32.533 31.823 0.085 0.000 1.011 170 V HN 0.500 nan 8.190 nan 0.000 0.475 171 D N 4.058 124.145 120.400 -0.522 0.000 2.252 171 D HA 0.680 5.322 4.640 0.002 0.000 0.245 171 D C -0.994 175.102 176.300 -0.340 0.000 1.009 171 D CA -0.197 53.481 54.000 -0.536 0.000 0.870 171 D CB 2.154 42.354 40.800 -1.000 0.000 1.251 171 D HN 0.282 nan 8.370 nan 0.000 0.460 172 V N 1.917 121.662 119.914 -0.282 0.000 2.760 172 V HA 0.367 4.489 4.120 0.002 0.000 0.309 172 V C -0.028 175.970 176.094 -0.162 0.000 1.077 172 V CA -1.009 61.122 62.300 -0.283 0.000 0.910 172 V CB 1.972 33.489 31.823 -0.511 0.000 1.008 172 V HN 0.669 nan 8.190 nan 0.000 0.424 173 S N 2.027 117.662 115.700 -0.109 0.000 2.558 173 S HA 0.086 4.557 4.470 0.002 0.000 0.288 173 S C 1.531 176.107 174.600 -0.041 0.000 1.318 173 S CA 0.037 58.202 58.200 -0.058 0.000 1.056 173 S CB 1.327 64.507 63.200 -0.033 0.000 0.853 173 S HN 0.902 nan 8.310 nan 0.000 0.505 174 V N 2.578 122.482 119.914 -0.017 0.000 2.250 174 V HA -0.231 3.890 4.120 0.002 0.000 0.250 174 V C 2.314 178.410 176.094 0.002 0.000 1.060 174 V CA 2.064 64.361 62.300 -0.004 0.000 1.030 174 V CB -0.908 30.921 31.823 0.009 0.000 0.643 174 V HN 0.694 nan 8.190 nan 0.000 0.445 175 K N 0.807 121.210 120.400 0.006 0.000 2.044 175 K HA -0.111 4.210 4.320 0.002 0.000 0.210 175 K C 1.952 178.571 176.600 0.032 0.000 1.049 175 K CA 2.175 58.471 56.287 0.015 0.000 0.927 175 K CB -1.163 31.346 32.500 0.014 0.000 0.713 175 K HN 0.462 nan 8.250 nan 0.000 0.443 176 V N 0.846 120.779 119.914 0.032 0.000 2.343 176 V HA -0.211 3.910 4.120 0.002 0.000 0.247 176 V C 2.283 178.436 176.094 0.099 0.000 1.051 176 V CA 1.630 63.971 62.300 0.069 0.000 1.036 176 V CB -0.524 31.336 31.823 0.060 0.000 0.654 176 V HN 0.291 nan 8.190 nan 0.000 0.451 177 L N -0.081 121.159 121.223 0.028 0.000 1.994 177 L HA -0.148 4.193 4.340 0.002 0.000 0.208 177 L C 2.501 179.435 176.870 0.107 0.000 1.071 177 L CA 2.510 57.370 54.840 0.034 0.000 0.745 177 L CB -1.147 40.883 42.059 -0.048 0.000 0.892 177 L HN 0.313 nan 8.230 nan 0.000 0.431 178 T N -0.172 114.415 114.554 0.054 0.000 2.597 178 T HA -0.231 4.120 4.350 0.002 0.000 0.267 178 T C 1.497 176.226 174.700 0.047 0.000 1.053 178 T CA 1.948 64.068 62.100 0.033 0.000 1.165 178 T CB -0.394 68.478 68.868 0.007 0.000 0.863 178 T HN 0.426 nan 8.240 nan 0.000 0.427 179 D N -0.429 120.012 120.400 0.068 0.000 2.144 179 D HA -0.074 4.568 4.640 0.002 0.000 0.199 179 D C 1.664 178.028 176.300 0.108 0.000 0.984 179 D CA 0.911 54.954 54.000 0.071 0.000 0.834 179 D CB -0.431 40.417 40.800 0.079 0.000 0.955 179 D HN 0.503 nan 8.370 nan 0.000 0.465 180 Y N 0.866 121.207 120.300 0.069 0.000 2.200 180 Y HA -0.145 4.406 4.550 0.002 0.000 0.290 180 Y C 1.912 177.858 175.900 0.077 0.000 1.137 180 Y CA 0.892 59.056 58.100 0.107 0.000 1.163 180 Y CB -0.210 38.392 38.460 0.236 0.000 0.988 180 Y HN -0.133 nan 8.280 nan 0.000 0.518 181 L N 0.276 121.521 121.223 0.037 0.000 2.131 181 L HA -0.161 4.181 4.340 0.002 0.000 0.210 181 L C 2.596 179.400 176.870 -0.109 0.000 1.092 181 L CA 1.833 56.642 54.840 -0.050 0.000 0.759 181 L CB -1.857 40.225 42.059 0.038 0.000 0.903 181 L HN 0.415 nan 8.230 nan 0.000 0.435 182 A N -0.794 121.977 122.820 -0.082 0.000 1.897 182 A HA -0.199 4.122 4.320 0.002 0.000 0.215 182 A C 2.427 179.945 177.584 -0.109 0.000 1.181 182 A CA 1.499 53.490 52.037 -0.077 0.000 0.620 182 A CB -0.396 18.575 19.000 -0.049 0.000 0.821 182 A HN 0.375 nan 8.150 nan 0.000 0.443 183 K N -0.137 120.176 120.400 -0.145 0.000 2.057 183 K HA -0.194 4.127 4.320 0.002 0.000 0.207 183 K C 2.257 178.720 176.600 -0.228 0.000 1.049 183 K CA 1.632 57.820 56.287 -0.165 0.000 0.931 183 K CB -0.259 32.143 32.500 -0.163 0.000 0.714 183 K HN 0.396 nan 8.250 nan 0.000 0.440 184 R N 0.520 120.791 120.500 -0.383 0.000 2.120 184 R HA -0.097 4.244 4.340 0.002 0.000 0.234 184 R C 2.060 178.272 176.300 -0.146 0.000 1.123 184 R CA 1.202 57.107 56.100 -0.324 0.000 0.975 184 R CB -0.085 29.958 30.300 -0.428 0.000 0.866 184 R HN 0.097 nan 8.270 nan 0.000 0.446 185 V N 1.229 121.076 119.914 -0.112 0.000 2.343 185 V HA -0.233 3.889 4.120 0.002 0.000 0.247 185 V C 1.526 177.600 176.094 -0.033 0.000 1.051 185 V CA 2.106 64.375 62.300 -0.052 0.000 1.036 185 V CB -0.453 31.345 31.823 -0.042 0.000 0.654 185 V HN 0.352 nan 8.190 nan 0.000 0.451 186 D N 0.152 120.523 120.400 -0.048 0.000 2.123 186 D HA -0.163 4.479 4.640 0.002 0.000 0.196 186 D C 1.882 178.167 176.300 -0.026 0.000 0.992 186 D CA 1.417 55.401 54.000 -0.027 0.000 0.833 186 D CB -0.354 40.424 40.800 -0.036 0.000 0.954 186 D HN 0.426 nan 8.370 nan 0.000 0.455 187 D N -0.484 119.886 120.400 -0.051 0.000 2.178 187 D HA -0.100 4.541 4.640 0.002 0.000 0.201 187 D C 2.031 178.320 176.300 -0.019 0.000 0.980 187 D CA 0.631 54.608 54.000 -0.039 0.000 0.842 187 D CB -0.218 40.547 40.800 -0.060 0.000 0.948 187 D HN 0.277 nan 8.370 nan 0.000 0.472 188 M N -0.326 119.265 119.600 -0.015 0.000 2.175 188 M HA -0.094 4.387 4.480 0.002 0.000 0.264 188 M C 1.671 177.987 176.300 0.026 0.000 1.063 188 M CA 0.683 55.986 55.300 0.005 0.000 1.119 188 M CB 0.078 32.684 32.600 0.010 0.000 1.377 188 M HN -0.006 nan 8.290 nan 0.000 0.415 189 L N 0.175 121.420 121.223 0.036 0.000 2.072 189 L HA -0.128 4.213 4.340 0.002 0.000 0.205 189 L C 2.293 179.191 176.870 0.046 0.000 1.079 189 L CA 1.813 56.691 54.840 0.064 0.000 0.752 189 L CB -1.264 40.846 42.059 0.086 0.000 0.906 189 L HN 0.390 nan 8.230 nan 0.000 0.436 190 E N -0.649 119.564 120.200 0.022 0.000 2.153 190 E HA -0.232 4.119 4.350 0.002 0.000 0.194 190 E C 2.032 178.639 176.600 0.012 0.000 0.988 190 E CA 0.651 57.057 56.400 0.010 0.000 0.811 190 E CB 0.121 29.819 29.700 -0.003 0.000 0.746 190 E HN 0.177 nan 8.360 nan 0.000 0.466 191 L N -0.642 120.588 121.223 0.013 0.000 2.395 191 L HA 0.156 4.497 4.340 0.002 0.000 0.218 191 L C 1.369 178.251 176.870 0.021 0.000 1.130 191 L CA 1.634 56.481 54.840 0.011 0.000 0.826 191 L CB 0.413 42.475 42.059 0.006 0.000 0.941 191 L HN 0.336 nan 8.230 nan 0.000 0.451 192 G N -1.752 107.069 108.800 0.036 0.000 2.145 192 G HA2 -0.271 3.691 3.960 0.002 0.000 0.145 192 G HA3 -0.271 3.691 3.960 0.002 0.000 0.145 192 G C 1.028 175.956 174.900 0.048 0.000 1.017 192 G CA 0.402 45.532 45.100 0.050 0.000 0.682 192 G HN 0.224 nan 8.290 nan 0.000 0.504 193 M N -0.462 119.167 119.600 0.048 0.000 2.108 193 M HA -0.015 4.466 4.480 0.002 0.000 0.261 193 M C 2.171 178.472 176.300 0.002 0.000 1.066 193 M CA 2.493 57.810 55.300 0.029 0.000 1.107 193 M CB -0.243 32.383 32.600 0.042 0.000 1.356 193 M HN 0.471 nan 8.290 nan 0.000 0.406 194 F N 1.520 121.378 119.950 -0.154 0.000 2.134 194 F HA -0.244 4.284 4.527 0.002 0.000 0.299 194 F C 1.820 177.579 175.800 -0.070 0.000 1.097 194 F CA 2.084 59.916 58.000 -0.279 0.000 1.264 194 F CB -0.511 38.320 39.000 -0.283 0.000 1.001 194 F HN 0.266 nan 8.300 nan 0.000 0.479 195 D N 0.036 120.366 120.400 -0.117 0.000 2.178 195 D HA -0.197 4.445 4.640 0.002 0.000 0.202 195 D C 2.065 178.283 176.300 -0.137 0.000 0.974 195 D CA 1.283 55.184 54.000 -0.165 0.000 0.841 195 D CB -0.354 40.448 40.800 0.002 0.000 0.953 195 D HN 0.562 nan 8.370 nan 0.000 0.478 196 E N 0.769 120.923 120.200 -0.076 0.000 2.072 196 E HA -0.125 4.226 4.350 0.002 0.000 0.191 196 E C 2.317 178.912 176.600 -0.007 0.000 0.985 196 E CA 0.482 56.863 56.400 -0.033 0.000 0.801 196 E CB 0.042 29.725 29.700 -0.028 0.000 0.750 196 E HN 0.207 nan 8.360 nan 0.000 0.452 197 L N 0.252 121.458 121.223 -0.028 0.000 2.156 197 L HA -0.054 4.287 4.340 0.002 0.000 0.208 197 L C 2.610 179.510 176.870 0.050 0.000 1.095 197 L CA 0.807 55.720 54.840 0.121 0.000 0.770 197 L CB -0.326 41.839 42.059 0.177 0.000 0.914 197 L HN 0.181 nan 8.230 nan 0.000 0.439 198 A N 0.038 122.702 122.820 -0.260 0.000 1.972 198 A HA -0.233 4.088 4.320 0.002 0.000 0.219 198 A C 2.208 179.610 177.584 -0.303 0.000 1.169 198 A CA 1.863 53.518 52.037 -0.636 0.000 0.635 198 A CB -0.338 18.274 19.000 -0.646 0.000 0.810 198 A HN 0.385 nan 8.150 nan 0.000 0.446 199 E N -1.267 118.861 120.200 -0.120 0.000 2.216 199 E HA -0.068 4.283 4.350 0.002 0.000 0.192 199 E C 1.469 178.106 176.600 0.062 0.000 0.988 199 E CA 0.765 57.148 56.400 -0.028 0.000 0.834 199 E CB -0.394 29.305 29.700 -0.002 0.000 0.772 199 E HN 0.511 nan 8.360 nan 0.000 0.479 200 F N 0.025 119.945 119.950 -0.049 0.000 2.325 200 F HA 0.055 4.583 4.527 0.002 0.000 0.299 200 F C 0.396 176.196 175.800 0.000 0.000 1.090 200 F CA 0.230 58.226 58.000 -0.007 0.000 1.392 200 F CB -0.274 38.745 39.000 0.030 0.000 1.053 200 F HN -0.012 nan 8.300 nan 0.000 0.521 201 Y N 1.303 121.546 120.300 -0.096 0.000 2.702 201 Y HA 0.240 4.791 4.550 0.002 0.000 0.336 201 Y C 0.074 175.861 175.900 -0.189 0.000 1.235 201 Y CA 0.435 58.425 58.100 -0.184 0.000 1.492 201 Y CB 0.332 38.519 38.460 -0.456 0.000 1.308 201 Y HN -0.047 nan 8.280 nan 0.000 0.589 202 S N 6.692 121.884 115.700 -0.847 0.000 2.689 202 S HA 0.373 4.844 4.470 0.002 0.000 0.274 202 S C -2.410 171.901 174.600 -0.481 0.000 1.176 202 S CA -1.251 56.634 58.200 -0.526 0.000 1.014 202 S CB 1.582 64.565 63.200 -0.362 0.000 1.071 202 S HN 0.485 nan 8.310 nan 0.000 0.478 203 P HA 0.016 nan 4.420 nan 0.000 0.231 203 P C 0.727 177.982 177.300 -0.074 0.000 1.158 203 P CA 0.543 63.612 63.100 -0.051 0.000 0.763 203 P CB 0.129 31.846 31.700 0.029 0.000 0.805 204 E N -0.330 119.788 120.200 -0.137 0.000 2.502 204 E HA -0.043 4.308 4.350 0.002 0.000 0.194 204 E C -0.078 176.405 176.600 -0.195 0.000 1.062 204 E CA -0.042 56.278 56.400 -0.134 0.000 0.867 204 E CB -0.174 29.456 29.700 -0.116 0.000 0.888 204 E HN 0.145 nan 8.360 nan 0.000 0.510 205 D N 1.220 121.444 120.400 -0.293 0.000 2.308 205 D HA 0.025 4.666 4.640 0.002 0.000 0.251 205 D C 0.091 176.078 176.300 -0.522 0.000 1.127 205 D CA 0.146 53.905 54.000 -0.401 0.000 0.876 205 D CB 1.533 42.074 40.800 -0.432 0.000 1.176 205 D HN 0.229 nan 8.370 nan 0.000 0.446 206 E N 0.490 120.495 120.200 -0.324 0.000 2.463 206 E HA -0.030 4.321 4.350 0.002 0.000 0.193 206 E C 0.031 176.508 176.600 -0.205 0.000 1.041 206 E CA 0.060 56.316 56.400 -0.241 0.000 0.879 206 E CB 0.329 29.948 29.700 -0.134 0.000 0.997 206 E HN 0.359 nan 8.360 nan 0.000 0.478 207 D N -1.578 118.674 120.400 -0.247 0.000 2.462 207 D HA -0.011 4.630 4.640 0.002 0.000 0.221 207 D C 0.820 177.126 176.300 0.011 0.000 1.173 207 D CA -0.179 53.766 54.000 -0.091 0.000 0.831 207 D CB -0.421 40.356 40.800 -0.038 0.000 1.001 207 D HN 0.214 nan 8.370 nan 0.000 0.499 208 H N 0.581 119.683 119.070 0.053 0.000 2.457 208 H HA -0.094 4.463 4.556 0.002 0.000 0.297 208 H C 0.481 175.864 175.328 0.092 0.000 1.092 208 H CA 1.422 57.533 56.048 0.105 0.000 1.309 208 H CB 0.241 30.087 29.762 0.140 0.000 1.382 208 H HN 0.284 nan 8.280 nan 0.000 0.535 209 D N -0.023 120.477 120.400 0.167 0.000 2.358 209 D HA 0.007 4.648 4.640 0.002 0.000 0.224 209 D C 0.224 176.567 176.300 0.071 0.000 1.123 209 D CA -0.051 54.012 54.000 0.105 0.000 0.833 209 D CB 0.010 40.854 40.800 0.073 0.000 0.946 209 D HN 0.465 nan 8.370 nan 0.000 0.505 210 E N 0.538 120.783 120.200 0.076 0.000 2.238 210 E HA 0.153 4.504 4.350 0.002 0.000 0.267 210 E C -0.975 175.658 176.600 0.055 0.000 0.887 210 E CA -0.846 55.584 56.400 0.051 0.000 0.769 210 E CB 1.642 31.363 29.700 0.034 0.000 1.187 210 E HN -0.025 nan 8.360 nan 0.000 0.416 211 D N 1.881 122.304 120.400 0.038 0.000 2.368 211 D HA 0.008 4.649 4.640 0.002 0.000 0.240 211 D C 0.504 176.826 176.300 0.037 0.000 1.169 211 D CA 0.156 54.177 54.000 0.034 0.000 0.906 211 D CB 1.460 42.271 40.800 0.019 0.000 1.187 211 D HN 0.420 nan 8.370 nan 0.000 0.435 212 S N 1.706 117.428 115.700 0.037 0.000 2.387 212 S HA -0.226 4.246 4.470 0.002 0.000 0.230 212 S C 1.885 176.500 174.600 0.025 0.000 1.035 212 S CA 1.375 59.597 58.200 0.036 0.000 1.014 212 S CB -0.257 62.962 63.200 0.031 0.000 0.836 212 S HN 0.633 nan 8.310 nan 0.000 0.466 213 A N 1.048 123.878 122.820 0.017 0.000 1.927 213 A HA -0.180 4.141 4.320 0.002 0.000 0.220 213 A C 2.230 179.822 177.584 0.014 0.000 1.185 213 A CA 2.316 54.358 52.037 0.009 0.000 0.639 213 A CB -1.006 17.995 19.000 0.002 0.000 0.820 213 A HN 0.647 nan 8.150 nan 0.000 0.451 214 T N -3.653 110.910 114.554 0.016 0.000 3.085 214 T HA 0.386 4.737 4.350 0.002 0.000 0.264 214 T C 0.746 175.459 174.700 0.020 0.000 1.019 214 T CA -0.420 61.690 62.100 0.017 0.000 0.910 214 T CB 0.075 68.950 68.868 0.013 0.000 1.059 214 T HN 0.359 nan 8.240 nan 0.000 0.542 215 R N 1.164 121.679 120.500 0.025 0.000 2.738 215 R HA 0.544 4.885 4.340 0.002 0.000 0.275 215 R C 0.110 176.425 176.300 0.025 0.000 1.121 215 R CA -0.112 56.004 56.100 0.026 0.000 1.207 215 R CB 0.297 30.621 30.300 0.040 0.000 1.141 215 R HN 0.178 nan 8.270 nan 0.000 0.571 216 T N -0.461 114.103 114.554 0.017 0.000 2.824 216 T HA 0.520 4.871 4.350 0.002 0.000 0.282 216 T C 0.342 175.034 174.700 -0.013 0.000 0.993 216 T CA 0.421 62.531 62.100 0.017 0.000 0.967 216 T CB 1.009 69.887 68.868 0.016 0.000 0.960 216 T HN 0.796 nan 8.240 nan 0.000 0.441 217 G N 3.749 112.546 108.800 -0.004 0.000 2.566 217 G HA2 -0.258 3.704 3.960 0.002 0.000 0.280 217 G HA3 -0.258 3.704 3.960 0.002 0.000 0.280 217 G C 0.776 175.544 174.900 -0.220 0.000 1.225 217 G CA 0.237 45.256 45.100 -0.135 0.000 0.966 217 G HN 1.201 nan 8.290 nan 0.000 0.560 218 L N 1.219 122.074 121.223 -0.613 0.000 2.263 218 L HA 0.004 4.345 4.340 0.002 0.000 0.216 218 L C 2.807 179.652 176.870 -0.040 0.000 1.111 218 L CA 2.751 57.410 54.840 -0.302 0.000 0.773 218 L CB -0.419 41.446 42.059 -0.325 0.000 0.906 218 L HN 0.571 nan 8.230 nan 0.000 0.439 219 R N -0.764 119.750 120.500 0.023 0.000 2.316 219 R HA -0.071 4.271 4.340 0.002 0.000 0.202 219 R C 1.760 178.115 176.300 0.091 0.000 1.029 219 R CA 0.547 56.727 56.100 0.134 0.000 1.018 219 R CB -0.115 30.261 30.300 0.127 0.000 0.888 219 R HN 0.446 nan 8.270 nan 0.000 0.471 220 K N 0.671 121.099 120.400 0.047 0.000 2.305 220 K HA 0.104 4.425 4.320 0.002 0.000 0.199 220 K C 0.714 177.341 176.600 0.044 0.000 1.047 220 K CA 0.177 56.491 56.287 0.046 0.000 0.976 220 K CB 0.255 32.776 32.500 0.034 0.000 0.765 220 K HN 0.053 nan 8.250 nan 0.000 0.474 221 A N 2.282 125.126 122.820 0.039 0.000 2.584 221 A HA -0.040 4.281 4.320 0.002 0.000 0.239 221 A C 0.314 177.921 177.584 0.039 0.000 1.043 221 A CA 0.050 52.105 52.037 0.029 0.000 0.756 221 A CB -0.170 18.831 19.000 0.001 0.000 0.963 221 A HN 0.112 nan 8.150 nan 0.000 0.511 222 I N 2.089 122.678 120.570 0.032 0.000 2.683 222 I HA 0.259 4.430 4.170 0.002 0.000 0.286 222 I C 1.541 177.688 176.117 0.050 0.000 1.175 222 I CA 2.069 63.389 61.300 0.034 0.000 1.429 222 I CB -0.344 37.669 38.000 0.022 0.000 1.371 222 I HN 1.110 nan 8.210 nan 0.000 0.569 223 G N 4.504 113.343 108.800 0.065 0.000 2.436 223 G HA2 -0.242 3.720 3.960 0.002 0.000 0.204 223 G HA3 -0.242 3.720 3.960 0.002 0.000 0.204 223 G C 0.788 175.810 174.900 0.203 0.000 1.026 223 G CA 0.100 45.279 45.100 0.132 0.000 0.658 223 G HN 0.368 nan 8.290 nan 0.000 0.499 224 V N 2.479 122.495 119.914 0.171 0.000 2.270 224 V HA -0.036 4.085 4.120 0.002 0.000 0.245 224 V C 0.500 176.753 176.094 0.265 0.000 1.043 224 V CA 2.734 65.189 62.300 0.258 0.000 1.014 224 V CB -1.258 30.712 31.823 0.245 0.000 0.645 224 V HN 0.428 nan 8.190 nan 0.000 0.447 225 P HA -0.096 nan 4.420 nan 0.000 0.217 225 P C 1.367 178.720 177.300 0.089 0.000 1.150 225 P CA 1.214 64.403 63.100 0.148 0.000 0.832 225 P CB 0.046 31.803 31.700 0.096 0.000 0.787 226 E N -0.930 119.274 120.200 0.007 0.000 2.031 226 E HA -0.134 4.217 4.350 0.002 0.000 0.193 226 E C 1.710 178.138 176.600 -0.286 0.000 0.994 226 E CA 1.214 57.514 56.400 -0.167 0.000 0.800 226 E CB -1.098 28.437 29.700 -0.275 0.000 0.752 226 E HN 0.197 nan 8.360 nan 0.000 0.447 227 F N 1.241 121.168 119.950 -0.039 0.000 2.325 227 F HA -0.078 4.450 4.527 0.002 0.000 0.299 227 F C 1.651 177.389 175.800 -0.103 0.000 1.090 227 F CA 0.898 58.785 58.000 -0.189 0.000 1.392 227 F CB -0.107 38.738 39.000 -0.259 0.000 1.053 227 F HN -0.044 nan 8.300 nan 0.000 0.521 228 D N -0.245 120.340 120.400 0.308 0.000 2.149 228 D HA -0.190 4.451 4.640 0.002 0.000 0.198 228 D C 2.327 178.736 176.300 0.182 0.000 0.990 228 D CA 0.944 55.167 54.000 0.373 0.000 0.839 228 D CB -0.309 40.721 40.800 0.384 0.000 0.948 228 D HN 0.193 nan 8.370 nan 0.000 0.460 229 R N -0.706 119.854 120.500 0.101 0.000 2.081 229 R HA -0.194 4.147 4.340 0.002 0.000 0.235 229 R C 2.337 178.666 176.300 0.049 0.000 1.131 229 R CA 1.064 57.196 56.100 0.054 0.000 0.960 229 R CB -0.414 29.891 30.300 0.009 0.000 0.856 229 R HN 0.235 nan 8.270 nan 0.000 0.436 230 Y N 0.052 120.287 120.300 -0.109 0.000 2.133 230 Y HA -0.181 4.370 4.550 0.002 0.000 0.287 230 Y C 1.521 177.449 175.900 0.047 0.000 1.134 230 Y CA 1.726 59.804 58.100 -0.037 0.000 1.133 230 Y CB -0.338 38.059 38.460 -0.105 0.000 0.987 230 Y HN 0.005 nan 8.280 nan 0.000 0.502 231 F N 0.853 120.886 119.950 0.139 0.000 2.333 231 F HA -0.093 4.436 4.527 0.002 0.000 0.300 231 F C 2.300 177.926 175.800 -0.290 0.000 1.083 231 F CA 1.351 59.218 58.000 -0.223 0.000 1.395 231 F CB -0.991 37.558 39.000 -0.751 0.000 1.056 231 F HN 0.138 nan 8.300 nan 0.000 0.529 232 E N 1.060 121.251 120.200 -0.015 0.000 2.049 232 E HA -0.219 4.133 4.350 0.002 0.000 0.198 232 E C 1.987 178.502 176.600 -0.143 0.000 1.007 232 E CA 1.804 58.187 56.400 -0.028 0.000 0.809 232 E CB -0.150 29.549 29.700 -0.001 0.000 0.749 232 E HN 0.309 nan 8.360 nan 0.000 0.450 233 K N -1.527 118.696 120.400 -0.294 0.000 2.137 233 K HA 0.036 4.357 4.320 0.002 0.000 0.202 233 K C -0.061 176.012 176.600 -0.877 0.000 1.052 233 K CA 0.466 56.376 56.287 -0.628 0.000 0.961 233 K CB 0.171 32.171 32.500 -0.834 0.000 0.741 233 K HN 0.052 nan 8.250 nan 0.000 0.452 234 F N 2.198 121.982 119.950 -0.276 0.000 2.453 234 F HA 0.277 4.805 4.527 0.002 0.000 0.358 234 F C -0.091 175.688 175.800 -0.036 0.000 1.129 234 F CA -1.150 56.722 58.000 -0.213 0.000 1.200 234 F CB 0.511 39.252 39.000 -0.433 0.000 1.431 234 F HN -0.316 nan 8.300 nan 0.000 0.503 235 R N 1.315 121.860 120.500 0.075 0.000 2.697 235 R HA 0.087 4.429 4.340 0.002 0.000 0.265 235 R C -2.474 173.867 176.300 0.068 0.000 1.009 235 R CA -2.181 53.924 56.100 0.009 0.000 1.099 235 R CB -0.385 29.921 30.300 0.011 0.000 0.965 235 R HN 0.203 nan 8.270 nan 0.000 0.428 236 P HA -0.007 nan 4.420 nan 0.000 0.258 236 P C 0.657 177.972 177.300 0.026 0.000 1.187 236 P CA 1.279 64.336 63.100 -0.072 0.000 0.767 236 P CB 0.257 31.761 31.700 -0.328 0.000 0.770 237 G N 2.482 111.342 108.800 0.100 0.000 2.195 237 G HA2 -0.244 3.717 3.960 0.002 0.000 0.246 237 G HA3 -0.244 3.717 3.960 0.002 0.000 0.246 237 G C 0.125 175.079 174.900 0.089 0.000 0.984 237 G CA 0.074 45.223 45.100 0.081 0.000 0.633 237 G HN 0.641 nan 8.290 nan 0.000 0.525 238 D N 0.610 121.079 120.400 0.114 0.000 2.350 238 D HA 0.498 5.140 4.640 0.002 0.000 0.249 238 D C 0.818 177.194 176.300 0.126 0.000 1.119 238 D CA 0.476 54.544 54.000 0.113 0.000 0.886 238 D CB 1.280 42.156 40.800 0.128 0.000 1.195 238 D HN 0.896 nan 8.370 nan 0.000 0.437 239 V N 1.056 121.027 119.914 0.095 0.000 3.126 239 V HA 0.507 4.628 4.120 0.002 0.000 0.314 239 V C 0.590 176.729 176.094 0.076 0.000 1.138 239 V CA -0.672 61.674 62.300 0.076 0.000 1.034 239 V CB 1.871 33.723 31.823 0.049 0.000 1.075 239 V HN 0.530 nan 8.190 nan 0.000 0.442 240 E N 0.898 121.132 120.200 0.057 0.000 2.102 240 E HA 0.192 4.543 4.350 0.002 0.000 0.190 240 E C 1.786 178.408 176.600 0.037 0.000 0.971 240 E CA 1.564 57.998 56.400 0.056 0.000 0.821 240 E CB 0.043 29.769 29.700 0.043 0.000 0.777 240 E HN 1.395 nan 8.360 nan 0.000 0.460 241 G N 1.022 109.837 108.800 0.026 0.000 3.078 241 G HA2 -0.426 3.536 3.960 0.002 0.000 0.227 241 G HA3 -0.426 3.536 3.960 0.002 0.000 0.227 241 G C 1.259 176.167 174.900 0.013 0.000 1.306 241 G CA 1.228 46.339 45.100 0.019 0.000 0.841 241 G HN 0.422 nan 8.290 nan 0.000 0.530 242 E N -1.253 118.956 120.200 0.015 0.000 3.635 242 E HA 0.343 4.694 4.350 0.002 0.000 0.183 242 E C -0.344 176.262 176.600 0.010 0.000 1.263 242 E CA 0.258 56.664 56.400 0.011 0.000 1.427 242 E CB 0.742 30.449 29.700 0.011 0.000 1.724 242 E HN 0.175 nan 8.360 nan 0.000 0.520 243 D N 1.455 121.863 120.400 0.014 0.000 2.772 243 D HA 0.217 4.859 4.640 0.002 0.000 0.326 243 D C -2.513 173.798 176.300 0.018 0.000 1.207 243 D CA -0.761 53.247 54.000 0.013 0.000 0.777 243 D CB 1.108 41.914 40.800 0.010 0.000 1.169 243 D HN 0.036 nan 8.370 nan 0.000 0.506 244 P HA 0.360 nan 4.420 nan 0.000 0.305 244 P C 0.981 178.301 177.300 0.033 0.000 1.378 244 P CA -0.611 62.508 63.100 0.033 0.000 0.926 244 P CB 2.060 33.790 31.700 0.049 0.000 1.051 245 G N 2.359 111.179 108.800 0.033 0.000 2.625 245 G HA2 -0.202 3.759 3.960 0.002 0.000 0.214 245 G HA3 -0.202 3.759 3.960 0.002 0.000 0.214 245 G C 1.430 176.359 174.900 0.048 0.000 1.132 245 G CA 0.005 45.124 45.100 0.031 0.000 0.782 245 G HN 0.539 nan 8.290 nan 0.000 0.538 246 R N 0.360 120.901 120.500 0.068 0.000 2.185 246 R HA -0.140 4.201 4.340 0.002 0.000 0.247 246 R C 1.944 178.303 176.300 0.098 0.000 1.159 246 R CA 1.838 58.011 56.100 0.120 0.000 0.988 246 R CB -0.224 30.175 30.300 0.166 0.000 0.871 246 R HN 0.329 nan 8.270 nan 0.000 0.458 247 D N -0.492 119.928 120.400 0.034 0.000 2.149 247 D HA -0.205 4.436 4.640 0.002 0.000 0.194 247 D C 1.805 178.099 176.300 -0.010 0.000 1.001 247 D CA 1.657 55.646 54.000 -0.018 0.000 0.849 247 D CB -0.035 40.751 40.800 -0.023 0.000 0.939 247 D HN 0.310 nan 8.370 nan 0.000 0.449 248 R N 0.114 120.627 120.500 0.021 0.000 2.152 248 R HA -0.044 4.297 4.340 0.002 0.000 0.232 248 R C 2.230 178.565 176.300 0.059 0.000 1.117 248 R CA 0.535 56.652 56.100 0.029 0.000 0.981 248 R CB -0.437 29.880 30.300 0.029 0.000 0.870 248 R HN 0.174 nan 8.270 nan 0.000 0.451 249 V N 1.148 121.125 119.914 0.105 0.000 2.535 249 V HA -0.125 3.996 4.120 0.002 0.000 0.246 249 V C 2.450 178.681 176.094 0.229 0.000 1.045 249 V CA 1.256 63.663 62.300 0.179 0.000 1.058 249 V CB -0.274 31.686 31.823 0.229 0.000 0.689 249 V HN 0.229 nan 8.190 nan 0.000 0.461 250 R N 0.030 120.567 120.500 0.061 0.000 2.073 250 R HA -0.201 4.140 4.340 0.002 0.000 0.234 250 R C 2.559 178.848 176.300 -0.018 0.000 1.134 250 R CA 2.190 58.057 56.100 -0.388 0.000 0.952 250 R CB -0.449 29.370 30.300 -0.802 0.000 0.850 250 R HN 0.497 nan 8.270 nan 0.000 0.433 251 R N -0.431 120.063 120.500 -0.010 0.000 2.075 251 R HA -0.070 4.271 4.340 0.002 0.000 0.232 251 R C 2.187 178.553 176.300 0.110 0.000 1.126 251 R CA 1.639 57.759 56.100 0.033 0.000 0.963 251 R CB -0.503 29.788 30.300 -0.015 0.000 0.858 251 R HN 0.407 nan 8.270 nan 0.000 0.435 252 G N -0.143 108.718 108.800 0.101 0.000 2.402 252 G HA2 -0.237 3.724 3.960 0.002 0.000 0.216 252 G HA3 -0.237 3.724 3.960 0.002 0.000 0.216 252 G C 1.473 176.452 174.900 0.131 0.000 1.162 252 G CA 0.680 45.838 45.100 0.095 0.000 0.777 252 G HN 0.464 nan 8.290 nan 0.000 0.539 253 A N 0.169 123.126 122.820 0.227 0.000 1.930 253 A HA 0.154 4.475 4.320 0.002 0.000 0.217 253 A C 2.133 179.877 177.584 0.266 0.000 1.175 253 A CA 1.312 53.523 52.037 0.290 0.000 0.627 253 A CB -0.490 18.788 19.000 0.463 0.000 0.815 253 A HN 0.330 nan 8.150 nan 0.000 0.443 254 F N 0.766 120.811 119.950 0.159 0.000 2.075 254 F HA -0.171 4.357 4.527 0.002 0.000 0.297 254 F C 2.304 178.011 175.800 -0.155 0.000 1.113 254 F CA 2.228 60.137 58.000 -0.151 0.000 1.218 254 F CB -0.288 38.584 39.000 -0.214 0.000 0.984 254 F HN 0.439 nan 8.300 nan 0.000 0.472 255 E N 0.200 120.442 120.200 0.069 0.000 2.070 255 E HA -0.345 4.006 4.350 0.002 0.000 0.197 255 E C 2.219 178.746 176.600 -0.122 0.000 1.004 255 E CA 1.699 58.098 56.400 -0.001 0.000 0.805 255 E CB -0.432 29.300 29.700 0.054 0.000 0.744 255 E HN 0.703 nan 8.360 nan 0.000 0.451 256 E N 0.160 120.298 120.200 -0.102 0.000 2.077 256 E HA -0.211 4.140 4.350 0.002 0.000 0.193 256 E C 1.975 178.429 176.600 -0.244 0.000 0.989 256 E CA 1.191 57.517 56.400 -0.122 0.000 0.800 256 E CB -0.255 29.409 29.700 -0.059 0.000 0.746 256 E HN 0.307 nan 8.360 nan 0.000 0.452 257 A N 0.982 123.556 122.820 -0.409 0.000 1.883 257 A HA -0.147 4.174 4.320 0.002 0.000 0.217 257 A C 2.494 179.698 177.584 -0.634 0.000 1.186 257 A CA 1.713 53.335 52.037 -0.692 0.000 0.624 257 A CB -0.899 17.322 19.000 -1.298 0.000 0.822 257 A HN 0.234 nan 8.150 nan 0.000 0.444 258 V N 0.153 119.718 119.914 -0.581 0.000 2.332 258 V HA -0.312 3.810 4.120 0.002 0.000 0.248 258 V C 2.640 178.611 176.094 -0.206 0.000 1.055 258 V CA 2.390 64.486 62.300 -0.340 0.000 1.038 258 V CB -0.914 30.767 31.823 -0.236 0.000 0.651 258 V HN 0.550 nan 8.190 nan 0.000 0.450 259 R N 0.307 120.702 120.500 -0.174 0.000 2.092 259 R HA -0.049 4.292 4.340 0.002 0.000 0.231 259 R C 2.428 178.656 176.300 -0.120 0.000 1.119 259 R CA 1.350 57.379 56.100 -0.118 0.000 0.970 259 R CB -0.592 29.654 30.300 -0.090 0.000 0.864 259 R HN 0.530 nan 8.270 nan 0.000 0.440 260 A N 1.274 124.005 122.820 -0.148 0.000 1.930 260 A HA -0.109 4.212 4.320 0.002 0.000 0.217 260 A C 2.143 179.661 177.584 -0.110 0.000 1.175 260 A CA 1.092 53.057 52.037 -0.120 0.000 0.627 260 A CB -0.407 18.510 19.000 -0.139 0.000 0.815 260 A HN 0.172 nan 8.150 nan 0.000 0.443 261 I N -0.638 119.846 120.570 -0.144 0.000 2.252 261 I HA -0.259 3.912 4.170 0.002 0.000 0.245 261 I C 2.474 178.549 176.117 -0.070 0.000 1.102 261 I CA 1.480 62.721 61.300 -0.097 0.000 1.385 261 I CB -0.243 37.699 38.000 -0.097 0.000 1.064 261 I HN 0.318 nan 8.210 nan 0.000 0.414 262 K N 0.497 120.847 120.400 -0.083 0.000 2.026 262 K HA -0.200 4.121 4.320 0.002 0.000 0.208 262 K C 2.041 178.586 176.600 -0.091 0.000 1.048 262 K CA 1.413 57.655 56.287 -0.075 0.000 0.929 262 K CB -0.150 32.304 32.500 -0.077 0.000 0.713 262 K HN 0.297 nan 8.250 nan 0.000 0.439 263 E N 0.705 120.839 120.200 -0.110 0.000 2.058 263 E HA -0.174 4.177 4.350 0.002 0.000 0.194 263 E C 1.806 178.315 176.600 -0.152 0.000 0.997 263 E CA 1.076 57.374 56.400 -0.171 0.000 0.801 263 E CB 0.027 29.651 29.700 -0.127 0.000 0.746 263 E HN 0.244 nan 8.360 nan 0.000 0.450 264 N N -0.149 118.530 118.700 -0.034 0.000 2.223 264 N HA -0.104 4.637 4.740 0.002 0.000 0.185 264 N C 1.718 177.246 175.510 0.030 0.000 1.016 264 N CA 1.203 54.279 53.050 0.045 0.000 0.863 264 N CB -0.410 38.095 38.487 0.031 0.000 0.983 264 N HN 0.097 nan 8.380 nan 0.000 0.429 265 T N 0.125 114.671 114.554 -0.012 0.000 2.812 265 T HA -0.042 4.309 4.350 0.002 0.000 0.264 265 T C 2.179 176.876 174.700 -0.005 0.000 1.042 265 T CA 0.696 62.794 62.100 -0.003 0.000 1.140 265 T CB -0.297 68.563 68.868 -0.013 0.000 0.870 265 T HN 0.312 nan 8.240 nan 0.000 0.445 266 C N 0.728 119.994 119.300 -0.057 0.000 2.446 266 C HA -0.035 4.426 4.460 0.002 0.000 0.277 266 C C 2.527 177.490 174.990 -0.046 0.000 1.275 266 C CA 0.473 59.443 59.018 -0.080 0.000 1.727 266 C CB -1.168 26.477 27.740 -0.158 0.000 2.010 266 C HN 0.679 nan 8.230 nan 0.000 0.486 267 H N -0.310 118.756 119.070 -0.005 0.000 2.389 267 H HA -0.118 4.439 4.556 0.002 0.000 0.299 267 H C 2.070 177.393 175.328 -0.008 0.000 1.081 267 H CA 1.344 57.387 56.048 -0.008 0.000 1.345 267 H CB -0.098 29.657 29.762 -0.012 0.000 1.393 267 H HN 0.293 nan 8.280 nan 0.000 0.520 268 L N 0.877 122.172 121.223 0.119 0.000 2.083 268 L HA -0.118 4.223 4.340 0.002 0.000 0.209 268 L C 2.365 179.261 176.870 0.044 0.000 1.083 268 L CA 1.709 56.584 54.840 0.059 0.000 0.752 268 L CB -0.757 41.324 42.059 0.038 0.000 0.899 268 L HN 0.219 nan 8.230 nan 0.000 0.433 269 A N -0.447 122.400 122.820 0.045 0.000 1.908 269 A HA -0.230 4.092 4.320 0.002 0.000 0.218 269 A C 2.310 179.918 177.584 0.041 0.000 1.181 269 A CA 2.003 54.064 52.037 0.040 0.000 0.627 269 A CB -0.505 18.515 19.000 0.035 0.000 0.818 269 A HN 0.553 nan 8.150 nan 0.000 0.445 270 K N -0.663 119.768 120.400 0.052 0.000 2.057 270 K HA -0.089 4.232 4.320 0.002 0.000 0.206 270 K C 2.221 178.836 176.600 0.025 0.000 1.050 270 K CA 1.314 57.631 56.287 0.049 0.000 0.935 270 K CB -0.191 32.356 32.500 0.078 0.000 0.715 270 K HN 0.395 nan 8.250 nan 0.000 0.439 271 R N 1.029 121.541 120.500 0.021 0.000 2.115 271 R HA -0.092 4.249 4.340 0.002 0.000 0.230 271 R C 2.341 178.623 176.300 -0.031 0.000 1.111 271 R CA 1.088 57.181 56.100 -0.012 0.000 0.976 271 R CB -0.065 30.225 30.300 -0.016 0.000 0.870 271 R HN 0.321 nan 8.270 nan 0.000 0.445 272 Q N 0.403 120.192 119.800 -0.017 0.000 2.046 272 Q HA -0.092 4.249 4.340 0.002 0.000 0.200 272 Q C 2.156 178.127 176.000 -0.049 0.000 0.975 272 Q CA 1.199 56.983 55.803 -0.033 0.000 0.836 272 Q CB -0.030 28.706 28.738 -0.004 0.000 0.896 272 Q HN 0.338 nan 8.270 nan 0.000 0.428 273 I N 0.351 120.918 120.570 -0.005 0.000 2.142 273 I HA -0.227 3.944 4.170 0.002 0.000 0.240 273 I C 2.367 178.449 176.117 -0.058 0.000 1.078 273 I CA 1.297 62.606 61.300 0.015 0.000 1.343 273 I CB -0.668 37.379 38.000 0.079 0.000 1.046 273 I HN 0.289 nan 8.210 nan 0.000 0.405 274 G N 0.581 109.351 108.800 -0.049 0.000 2.440 274 G HA2 -0.308 3.653 3.960 0.002 0.000 0.218 274 G HA3 -0.308 3.653 3.960 0.002 0.000 0.218 274 G C 1.700 176.521 174.900 -0.132 0.000 1.154 274 G CA 0.964 46.020 45.100 -0.074 0.000 0.767 274 G HN 0.305 nan 8.290 nan 0.000 0.552 275 K N -0.013 120.304 120.400 -0.138 0.000 2.032 275 K HA -0.009 4.313 4.320 0.002 0.000 0.209 275 K C 2.486 178.919 176.600 -0.277 0.000 1.048 275 K CA 1.126 57.303 56.287 -0.184 0.000 0.927 275 K CB -0.267 32.143 32.500 -0.149 0.000 0.712 275 K HN 0.365 nan 8.250 nan 0.000 0.441 276 I N 1.102 121.486 120.570 -0.310 0.000 2.226 276 I HA -0.297 3.874 4.170 0.002 0.000 0.245 276 I C 2.079 177.865 176.117 -0.553 0.000 1.100 276 I CA 1.054 62.051 61.300 -0.504 0.000 1.374 276 I CB -0.166 37.429 38.000 -0.676 0.000 1.057 276 I HN 0.185 nan 8.210 nan 0.000 0.413 277 L N -0.034 120.948 121.223 -0.402 0.000 2.127 277 L HA -0.220 4.121 4.340 0.002 0.000 0.211 277 L C 2.548 179.255 176.870 -0.273 0.000 1.089 277 L CA 1.065 55.722 54.840 -0.304 0.000 0.757 277 L CB -0.457 41.515 42.059 -0.146 0.000 0.899 277 L HN 0.158 nan 8.230 nan 0.000 0.434 278 R N -0.209 120.124 120.500 -0.277 0.000 2.189 278 R HA -0.021 4.321 4.340 0.002 0.000 0.218 278 R C 1.867 177.948 176.300 -0.364 0.000 1.074 278 R CA 0.832 56.775 56.100 -0.262 0.000 0.991 278 R CB -0.470 29.694 30.300 -0.227 0.000 0.883 278 R HN 0.241 nan 8.270 nan 0.000 0.457 279 L N -0.162 120.750 121.223 -0.519 0.000 2.492 279 L HA 0.112 4.453 4.340 0.002 0.000 0.223 279 L C 1.489 178.015 176.870 -0.573 0.000 1.132 279 L CA 0.979 55.331 54.840 -0.814 0.000 0.850 279 L CB -0.153 41.213 42.059 -1.156 0.000 0.966 279 L HN -0.077 nan 8.230 nan 0.000 0.454 280 K N 0.385 120.556 120.400 -0.382 0.000 2.684 280 K HA 0.220 4.541 4.320 0.002 0.000 0.215 280 K C 0.906 177.425 176.600 -0.135 0.000 1.073 280 K CA 0.243 56.401 56.287 -0.216 0.000 1.197 280 K CB 0.069 32.424 32.500 -0.240 0.000 0.955 280 K HN 0.304 nan 8.250 nan 0.000 0.473 281 G N -0.689 108.021 108.800 -0.149 0.000 2.645 281 G HA2 0.006 3.967 3.960 0.002 0.000 0.210 281 G HA3 0.006 3.967 3.960 0.002 0.000 0.210 281 G C 0.905 175.770 174.900 -0.058 0.000 1.304 281 G CA 0.237 45.282 45.100 -0.091 0.000 0.556 281 G HN 0.215 nan 8.290 nan 0.000 1.003 282 A N 0.486 123.239 122.820 -0.111 0.000 2.276 282 A HA 0.449 4.770 4.320 0.002 0.000 0.205 282 A C 1.921 179.621 177.584 0.194 0.000 1.234 282 A CA 1.671 53.705 52.037 -0.006 0.000 0.797 282 A CB -1.012 17.916 19.000 -0.121 0.000 0.769 282 A HN 1.906 nan 8.150 nan 0.000 0.491 283 G N -1.769 107.113 108.800 0.138 0.000 4.013 283 G HA2 -0.257 3.704 3.960 0.002 0.000 0.255 283 G HA3 -0.257 3.704 3.960 0.002 0.000 0.255 283 G C -0.144 174.900 174.900 0.240 0.000 1.765 283 G CA -0.182 45.031 45.100 0.189 0.000 1.396 283 G HN 0.989 nan 8.290 nan 0.000 0.605 284 W N 2.316 123.563 121.300 -0.089 0.000 3.133 284 W HA 0.095 4.756 4.660 0.001 0.000 0.409 284 W C 0.282 176.721 176.519 -0.132 0.000 1.019 284 W CA 0.760 57.994 57.345 -0.186 0.000 0.469 284 W CB -0.783 28.415 29.460 -0.437 0.000 2.852 284 W HN 0.672 nan 8.180 nan 0.000 0.437 285 D N 4.166 124.668 120.400 0.171 0.000 2.441 285 D HA 0.200 4.842 4.640 0.002 0.000 0.243 285 D C -0.171 176.261 176.300 0.221 0.000 1.257 285 D CA 0.089 54.192 54.000 0.172 0.000 1.027 285 D CB -0.106 40.788 40.800 0.157 0.000 1.084 285 D HN 0.314 nan 8.370 nan 0.000 0.514 286 L N 4.315 125.637 121.223 0.165 0.000 2.276 286 L HA 0.397 4.738 4.340 0.002 0.000 0.286 286 L C 0.795 177.820 176.870 0.258 0.000 1.061 286 L CA -0.874 54.104 54.840 0.230 0.000 0.807 286 L CB 0.930 43.096 42.059 0.179 0.000 1.177 286 L HN 0.017 nan 8.230 nan 0.000 0.429 287 R N 3.642 124.282 120.500 0.233 0.000 2.205 287 R HA 0.274 4.615 4.340 0.002 0.000 0.342 287 R C -0.205 176.176 176.300 0.136 0.000 1.058 287 R CA -0.416 55.769 56.100 0.141 0.000 0.904 287 R CB 0.507 30.851 30.300 0.073 0.000 1.089 287 R HN 0.533 nan 8.270 nan 0.000 0.471 288 R N 3.292 123.839 120.500 0.079 0.000 2.340 288 R HA 0.289 4.631 4.340 0.002 0.000 0.300 288 R C -0.518 175.670 176.300 -0.186 0.000 1.069 288 R CA -0.249 55.783 56.100 -0.113 0.000 0.984 288 R CB 0.527 30.661 30.300 -0.277 0.000 1.003 288 R HN 0.450 nan 8.270 nan 0.000 0.459 289 L N 3.636 124.706 121.223 -0.255 0.000 2.313 289 L HA 0.283 4.625 4.340 0.002 0.000 0.283 289 L C -0.464 176.247 176.870 -0.264 0.000 1.013 289 L CA -0.773 53.935 54.840 -0.220 0.000 0.816 289 L CB 1.788 43.728 42.059 -0.198 0.000 1.236 289 L HN 0.557 nan 8.230 nan 0.000 0.419 290 D N 2.803 123.080 120.400 -0.205 0.000 2.428 290 D HA 0.293 4.935 4.640 0.002 0.000 0.221 290 D C 0.535 176.788 176.300 -0.079 0.000 1.123 290 D CA -0.173 53.722 54.000 -0.176 0.000 0.869 290 D CB 1.942 42.656 40.800 -0.144 0.000 1.032 290 D HN 0.611 nan 8.370 nan 0.000 0.506 291 A N 3.067 125.868 122.820 -0.030 0.000 2.278 291 A HA 0.027 4.349 4.320 0.002 0.000 0.212 291 A C 1.911 179.664 177.584 0.281 0.000 1.213 291 A CA 0.205 52.372 52.037 0.217 0.000 0.840 291 A CB -0.125 19.141 19.000 0.445 0.000 0.866 291 A HN 0.544 nan 8.150 nan 0.000 0.489 292 T N 0.641 115.239 114.554 0.073 0.000 2.665 292 T HA -0.156 4.195 4.350 0.002 0.000 0.268 292 T C 1.636 176.425 174.700 0.149 0.000 1.035 292 T CA 1.770 63.916 62.100 0.077 0.000 1.151 292 T CB -0.159 68.708 68.868 -0.002 0.000 0.862 292 T HN 0.512 nan 8.240 nan 0.000 0.438 293 E N 0.965 121.234 120.200 0.114 0.000 2.274 293 E HA 0.042 4.393 4.350 0.002 0.000 0.194 293 E C 2.496 179.164 176.600 0.113 0.000 0.996 293 E CA 0.375 56.832 56.400 0.095 0.000 0.840 293 E CB -0.287 29.449 29.700 0.060 0.000 0.772 293 E HN 0.388 nan 8.360 nan 0.000 0.491 294 S N 0.415 116.222 115.700 0.179 0.000 2.368 294 S HA -0.038 4.433 4.470 0.002 0.000 0.224 294 S C 1.707 176.268 174.600 -0.064 0.000 1.029 294 S CA 0.726 58.997 58.200 0.118 0.000 0.988 294 S CB -0.252 63.128 63.200 0.301 0.000 0.838 294 S HN 0.213 nan 8.310 nan 0.000 0.462 295 F N 1.448 121.370 119.950 -0.047 0.000 2.163 295 F HA 0.056 4.584 4.527 0.002 0.000 0.297 295 F C 2.598 178.373 175.800 -0.042 0.000 1.094 295 F CA 0.838 58.755 58.000 -0.138 0.000 1.290 295 F CB -0.211 38.680 39.000 -0.181 0.000 1.017 295 F HN 0.018 nan 8.300 nan 0.000 0.483 296 R N 0.348 120.939 120.500 0.151 0.000 2.097 296 R HA -0.213 4.129 4.340 0.002 0.000 0.236 296 R C 2.407 178.740 176.300 0.056 0.000 1.135 296 R CA 1.565 57.725 56.100 0.100 0.000 0.934 296 R CB -0.698 29.649 30.300 0.079 0.000 0.846 296 R HN 0.283 nan 8.270 nan 0.000 0.431 297 A N 0.442 123.279 122.820 0.028 0.000 1.972 297 A HA -0.121 4.200 4.320 0.002 0.000 0.219 297 A C 2.237 179.805 177.584 -0.026 0.000 1.169 297 A CA 1.701 53.739 52.037 0.002 0.000 0.635 297 A CB -0.625 18.374 19.000 -0.003 0.000 0.810 297 A HN 0.520 nan 8.150 nan 0.000 0.446 298 A N -1.159 121.615 122.820 -0.077 0.000 2.125 298 A HA -0.051 4.270 4.320 0.002 0.000 0.219 298 A C 2.029 179.626 177.584 0.022 0.000 1.156 298 A CA 1.598 53.569 52.037 -0.109 0.000 0.671 298 A CB -0.440 18.357 19.000 -0.340 0.000 0.794 298 A HN 0.432 nan 8.150 nan 0.000 0.459 299 M N 0.322 119.965 119.600 0.071 0.000 2.229 299 M HA -0.039 4.443 4.480 0.002 0.000 0.264 299 M C 0.542 176.874 176.300 0.053 0.000 1.063 299 M CA 0.891 56.254 55.300 0.106 0.000 1.114 299 M CB -1.534 31.131 32.600 0.109 0.000 1.387 299 M HN 0.283 nan 8.290 nan 0.000 0.420 300 T N 0.940 115.511 114.554 0.029 0.000 2.930 300 T HA 0.068 4.419 4.350 0.002 0.000 0.306 300 T C 1.110 175.814 174.700 0.007 0.000 1.045 300 T CA -0.105 62.004 62.100 0.015 0.000 1.134 300 T CB 0.740 69.612 68.868 0.008 0.000 0.961 300 T HN 0.190 nan 8.240 nan 0.000 0.545 301 S N 1.571 117.272 115.700 0.003 0.000 2.881 301 S HA -0.004 4.467 4.470 0.002 0.000 0.228 301 S C 0.388 174.983 174.600 -0.008 0.000 0.965 301 S CA 0.082 58.280 58.200 -0.004 0.000 0.998 301 S CB -0.286 62.911 63.200 -0.005 0.000 0.795 301 S HN 0.579 nan 8.310 nan 0.000 0.518 302 D N 0.622 121.017 120.400 -0.009 0.000 2.559 302 D HA 0.081 4.722 4.640 0.002 0.000 0.234 302 D C 0.291 176.578 176.300 -0.022 0.000 1.226 302 D CA 0.000 53.993 54.000 -0.013 0.000 0.830 302 D CB 0.238 41.033 40.800 -0.008 0.000 1.028 302 D HN 0.150 nan 8.370 nan 0.000 0.492 303 S N 0.483 116.166 115.700 -0.028 0.000 3.944 303 S HA 0.363 4.834 4.470 0.002 0.000 0.215 303 S C 0.828 175.390 174.600 -0.064 0.000 1.220 303 S CA 0.246 58.416 58.200 -0.051 0.000 0.950 303 S CB -0.652 62.522 63.200 -0.045 0.000 1.615 303 S HN 0.406 nan 8.310 nan 0.000 0.466 304 G N 2.903 111.668 108.800 -0.057 0.000 3.504 304 G HA2 0.175 4.136 3.960 0.002 0.000 0.162 304 G HA3 0.175 4.136 3.960 0.002 0.000 0.162 304 G C 0.407 175.282 174.900 -0.042 0.000 1.311 304 G CA -0.110 44.958 45.100 -0.054 0.000 1.322 304 G HN 0.459 nan 8.290 nan 0.000 0.738 305 E N 1.042 121.228 120.200 -0.024 0.000 2.086 305 E HA -0.135 4.216 4.350 0.002 0.000 0.200 305 E C 2.250 178.847 176.600 -0.006 0.000 1.012 305 E CA 1.879 58.273 56.400 -0.010 0.000 0.812 305 E CB -0.087 29.610 29.700 -0.005 0.000 0.743 305 E HN 0.405 nan 8.360 nan 0.000 0.453 306 K N -0.178 120.216 120.400 -0.010 0.000 2.025 306 K HA -0.080 4.241 4.320 0.002 0.000 0.207 306 K C 2.344 178.942 176.600 -0.004 0.000 1.049 306 K CA 1.243 57.528 56.287 -0.003 0.000 0.933 306 K CB -0.521 31.976 32.500 -0.004 0.000 0.714 306 K HN 0.244 nan 8.250 nan 0.000 0.438 307 C N 1.069 120.349 119.300 -0.034 0.000 2.425 307 C HA -0.124 4.337 4.460 0.002 0.000 0.277 307 C C 2.435 177.409 174.990 -0.026 0.000 1.280 307 C CA 1.520 60.500 59.018 -0.064 0.000 1.744 307 C CB -1.012 26.636 27.740 -0.153 0.000 1.989 307 C HN 0.480 nan 8.230 nan 0.000 0.491 308 T N 0.389 114.929 114.554 -0.022 0.000 2.812 308 T HA -0.118 4.233 4.350 0.002 0.000 0.264 308 T C 1.639 176.405 174.700 0.110 0.000 1.042 308 T CA 1.631 63.751 62.100 0.034 0.000 1.140 308 T CB -0.344 68.531 68.868 0.012 0.000 0.870 308 T HN 0.680 nan 8.240 nan 0.000 0.445 309 E N 0.719 120.960 120.200 0.067 0.000 2.049 309 E HA -0.123 4.228 4.350 0.002 0.000 0.198 309 E C 2.169 178.821 176.600 0.086 0.000 1.007 309 E CA 1.189 57.629 56.400 0.066 0.000 0.809 309 E CB -0.348 29.376 29.700 0.039 0.000 0.749 309 E HN 0.479 nan 8.360 nan 0.000 0.450 310 I N 0.573 121.199 120.570 0.093 0.000 2.142 310 I HA -0.256 3.915 4.170 0.002 0.000 0.240 310 I C 2.466 178.672 176.117 0.147 0.000 1.078 310 I CA 0.988 62.346 61.300 0.097 0.000 1.343 310 I CB -0.399 37.652 38.000 0.085 0.000 1.046 310 I HN 0.362 nan 8.210 nan 0.000 0.405 311 W N 2.289 123.572 121.300 -0.028 0.000 2.338 311 W HA -0.247 4.415 4.660 0.002 0.000 0.304 311 W C 2.239 178.754 176.519 -0.008 0.000 1.212 311 W CA 1.975 59.307 57.345 -0.021 0.000 1.264 311 W CB -0.165 29.266 29.460 -0.049 0.000 1.142 311 W HN 0.218 nan 8.180 nan 0.000 0.512 312 E N 0.369 120.678 120.200 0.181 0.000 2.031 312 E HA -0.238 4.113 4.350 0.002 0.000 0.193 312 E C 2.269 178.849 176.600 -0.033 0.000 0.994 312 E CA 2.234 58.676 56.400 0.069 0.000 0.800 312 E CB -0.104 29.660 29.700 0.108 0.000 0.752 312 E HN 0.175 nan 8.360 nan 0.000 0.447 313 K N -0.226 120.170 120.400 -0.007 0.000 2.031 313 K HA -0.091 4.230 4.320 0.002 0.000 0.205 313 K C 2.271 178.831 176.600 -0.067 0.000 1.049 313 K CA 1.312 57.582 56.287 -0.028 0.000 0.939 313 K CB 0.013 32.511 32.500 -0.003 0.000 0.717 313 K HN 0.150 nan 8.250 nan 0.000 0.438 314 Q N -0.160 119.596 119.800 -0.073 0.000 2.354 314 Q HA 0.011 4.353 4.340 0.002 0.000 0.203 314 Q C 1.693 177.576 176.000 -0.195 0.000 0.933 314 Q CA 0.679 56.422 55.803 -0.100 0.000 0.901 314 Q CB 0.715 29.426 28.738 -0.045 0.000 1.007 314 Q HN 0.096 nan 8.270 nan 0.000 0.495 315 V N -0.598 119.106 119.914 -0.350 0.000 2.948 315 V HA -0.063 4.058 4.120 0.002 0.000 0.234 315 V C 1.602 177.367 176.094 -0.547 0.000 1.205 315 V CA 0.268 62.227 62.300 -0.569 0.000 1.234 315 V CB -0.106 31.014 31.823 -1.172 0.000 1.020 315 V HN 0.142 nan 8.190 nan 0.000 0.491 316 L N 1.310 122.179 121.223 -0.591 0.000 2.007 316 L HA -0.087 4.254 4.340 0.002 0.000 0.205 316 L C 2.619 179.358 176.870 -0.218 0.000 1.073 316 L CA 2.645 57.268 54.840 -0.361 0.000 0.744 316 L CB -0.779 41.135 42.059 -0.242 0.000 0.898 316 L HN 0.594 nan 8.230 nan 0.000 0.435 317 E N -0.126 119.974 120.200 -0.167 0.000 2.086 317 E HA -0.254 4.097 4.350 0.002 0.000 0.200 317 E C -0.598 175.940 176.600 -0.103 0.000 1.012 317 E CA 1.880 58.210 56.400 -0.117 0.000 0.812 317 E CB -1.536 28.121 29.700 -0.072 0.000 0.743 317 E HN 0.375 nan 8.360 nan 0.000 0.453 318 P HA -0.070 nan 4.420 nan 0.000 0.216 318 P C 1.524 178.779 177.300 -0.074 0.000 1.153 318 P CA 1.787 64.836 63.100 -0.084 0.000 0.848 318 P CB -0.045 31.596 31.700 -0.099 0.000 0.787 319 S N -0.626 115.012 115.700 -0.104 0.000 2.370 319 S HA -0.123 4.348 4.470 0.002 0.000 0.226 319 S C 2.041 176.634 174.600 -0.012 0.000 1.033 319 S CA 1.232 59.390 58.200 -0.071 0.000 1.011 319 S CB -1.370 61.776 63.200 -0.090 0.000 0.852 319 S HN -0.053 nan 8.310 nan 0.000 0.457 320 V N 2.073 121.977 119.914 -0.017 0.000 2.287 320 V HA -0.267 3.854 4.120 0.002 0.000 0.248 320 V C 2.292 178.475 176.094 0.150 0.000 1.053 320 V CA 1.863 64.216 62.300 0.088 0.000 1.027 320 V CB -0.622 31.082 31.823 -0.198 0.000 0.646 320 V HN 0.442 nan 8.190 nan 0.000 0.447 321 K N -0.229 120.201 120.400 0.050 0.000 2.032 321 K HA -0.148 4.173 4.320 0.002 0.000 0.209 321 K C 2.000 178.630 176.600 0.050 0.000 1.048 321 K CA 1.817 58.136 56.287 0.054 0.000 0.927 321 K CB -0.375 32.135 32.500 0.017 0.000 0.712 321 K HN 0.385 nan 8.250 nan 0.000 0.441 322 I N 0.514 121.094 120.570 0.017 0.000 2.179 322 I HA -0.286 3.886 4.170 0.002 0.000 0.242 322 I C 2.211 178.329 176.117 0.002 0.000 1.088 322 I CA 1.103 62.404 61.300 0.002 0.000 1.357 322 I CB -0.293 37.689 38.000 -0.031 0.000 1.051 322 I HN -0.040 nan 8.210 nan 0.000 0.409 323 V N -0.272 119.615 119.914 -0.045 0.000 2.343 323 V HA -0.296 3.825 4.120 0.002 0.000 0.247 323 V C 2.589 178.588 176.094 -0.158 0.000 1.051 323 V CA 2.114 64.322 62.300 -0.153 0.000 1.036 323 V CB -0.522 31.043 31.823 -0.431 0.000 0.654 323 V HN 0.409 nan 8.190 nan 0.000 0.451 324 S N -0.452 115.230 115.700 -0.030 0.000 2.365 324 S HA -0.267 4.204 4.470 0.002 0.000 0.225 324 S C 2.143 176.787 174.600 0.073 0.000 1.039 324 S CA 1.989 60.270 58.200 0.136 0.000 1.033 324 S CB -0.232 63.132 63.200 0.273 0.000 0.887 324 S HN 0.583 nan 8.310 nan 0.000 0.447 325 R N -0.877 119.668 120.500 0.075 0.000 2.148 325 R HA 0.028 4.369 4.340 0.002 0.000 0.223 325 R C 1.989 178.341 176.300 0.087 0.000 1.088 325 R CA 1.239 57.380 56.100 0.068 0.000 0.985 325 R CB -0.362 29.976 30.300 0.064 0.000 0.880 325 R HN 0.508 nan 8.270 nan 0.000 0.451 326 F N 1.149 121.048 119.950 -0.085 0.000 2.259 326 F HA 0.004 4.532 4.527 0.002 0.000 0.298 326 F C 1.533 177.267 175.800 -0.110 0.000 1.088 326 F CA 1.085 59.023 58.000 -0.103 0.000 1.358 326 F CB 0.000 38.915 39.000 -0.142 0.000 1.040 326 F HN -0.124 nan 8.300 nan 0.000 0.505 327 L N -0.359 120.740 121.223 -0.207 0.000 2.395 327 L HA -0.103 4.238 4.340 0.002 0.000 0.218 327 L C 2.000 178.751 176.870 -0.199 0.000 1.130 327 L CA 0.717 55.370 54.840 -0.310 0.000 0.826 327 L CB -0.619 41.322 42.059 -0.196 0.000 0.941 327 L HN 0.163 nan 8.230 nan 0.000 0.451 328 D N 0.014 120.347 120.400 -0.110 0.000 2.128 328 D HA -0.036 4.606 4.640 0.002 0.000 0.213 328 D C 0.676 176.922 176.300 -0.090 0.000 0.983 328 D CA 0.948 54.907 54.000 -0.068 0.000 0.889 328 D CB 0.313 41.102 40.800 -0.019 0.000 1.018 328 D HN 0.208 nan 8.370 nan 0.000 0.448 329 E N 0.000 120.160 120.200 -0.066 0.000 2.725 329 E HA 0.000 4.351 4.350 0.002 0.000 0.291 329 E CA 0.000 56.364 56.400 -0.061 0.000 0.976 329 E CB 0.000 29.687 29.700 -0.021 0.000 0.812 329 E HN 0.000 nan 8.360 nan 0.000 0.440