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 2pvc_1_C DATA FIRST_RESID 34 DATA SEQUENCE GRDLIAYEVK ANQRNIEDIC ICCGSLQVHT QHPLFEGGIC APCKDKFLDA DATA SEQUENCE LFLYDDDGYQ SYCSICCSGE TLLICGNPDC TRCYCFECVD SLVGPGTSGK DATA SEQUENCE VHAMSNWVCY LCLPSSRSGL LQRRRKWRSQ LKAFYDRESE NPLEMFETVP DATA SEQUENCE VWRRQPVRVL SLFEDIKKEL TSLGFLESGS DPGQLKHVVD VTDTVRKDVE DATA SEQUENCE EWGPFDLVYG ATPPLGHTCD RPPSWYLFQF HRLLQYARPK PGSPGPFFWM DATA SEQUENCE FVDNLVLNKE DLDVASRFLE MEPVTIPDVH GGSLQNAVRV WSNIPAIRSR DATA SEQUENCE HWALVSEEEL SLLAQNKQSS KLAAKWPTKL VKNCFLPLRE YFKYFST 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 34 G C 0.000 174.892 174.900 -0.013 0.000 0.946 34 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 35 R N 0.517 121.006 120.500 -0.018 0.000 2.377 35 R HA -0.002 4.339 4.340 0.001 0.000 0.207 35 R C 1.353 177.637 176.300 -0.026 0.000 1.075 35 R CA 1.317 57.402 56.100 -0.025 0.000 1.035 35 R CB 0.078 30.360 30.300 -0.030 0.000 0.857 35 R HN 0.566 nan 8.270 nan 0.000 0.475 36 D N 0.544 120.932 120.400 -0.021 0.000 2.652 36 D HA -0.071 4.570 4.640 0.001 0.000 0.261 36 D C 1.713 178.012 176.300 -0.003 0.000 1.024 36 D CA 0.082 54.070 54.000 -0.019 0.000 0.958 36 D CB -0.575 40.209 40.800 -0.026 0.000 1.113 36 D HN 0.032 nan 8.370 nan 0.000 0.471 37 L N 2.126 123.348 121.223 -0.002 0.000 2.230 37 L HA -0.224 4.117 4.340 0.001 0.000 0.217 37 L C 2.749 179.669 176.870 0.084 0.000 1.090 37 L CA 1.550 56.406 54.840 0.026 0.000 0.771 37 L CB -1.320 40.745 42.059 0.010 0.000 0.892 37 L HN 0.273 nan 8.230 nan 0.000 0.438 38 I N -2.076 118.521 120.570 0.044 0.000 2.145 38 I HA -0.343 3.827 4.170 0.001 0.000 0.244 38 I C 2.524 178.670 176.117 0.047 0.000 1.075 38 I CA 1.748 63.071 61.300 0.037 0.000 1.332 38 I CB -0.859 37.141 38.000 -0.001 0.000 1.033 38 I HN 0.133 nan 8.210 nan 0.000 0.410 39 A N -0.192 122.652 122.820 0.041 0.000 2.084 39 A HA -0.241 4.080 4.320 0.001 0.000 0.221 39 A C 2.239 179.875 177.584 0.087 0.000 1.161 39 A CA 1.907 53.967 52.037 0.038 0.000 0.653 39 A CB -1.138 17.877 19.000 0.024 0.000 0.802 39 A HN 0.774 nan 8.150 nan 0.000 0.457 40 Y N 0.526 120.812 120.300 -0.022 0.000 2.201 40 Y HA -0.053 4.498 4.550 0.001 0.000 0.292 40 Y C 2.200 178.092 175.900 -0.013 0.000 1.119 40 Y CA 1.590 59.680 58.100 -0.017 0.000 1.127 40 Y CB -0.074 38.377 38.460 -0.015 0.000 1.019 40 Y HN 0.324 nan 8.280 nan 0.000 0.514 41 E N -0.185 120.042 120.200 0.045 0.000 2.160 41 E HA -0.156 4.194 4.350 0.001 0.000 0.195 41 E C 2.315 178.864 176.600 -0.084 0.000 0.991 41 E CA 1.503 57.876 56.400 -0.046 0.000 0.810 41 E CB -0.570 29.148 29.700 0.030 0.000 0.742 41 E HN 0.440 nan 8.360 nan 0.000 0.466 42 V N 0.840 120.722 119.914 -0.054 0.000 2.591 42 V HA -0.128 3.993 4.120 0.001 0.000 0.249 42 V C 1.920 177.970 176.094 -0.073 0.000 1.053 42 V CA 1.500 63.770 62.300 -0.051 0.000 1.068 42 V CB -0.248 31.557 31.823 -0.030 0.000 0.689 42 V HN 0.170 nan 8.190 nan 0.000 0.462 43 K N -0.423 119.917 120.400 -0.099 0.000 2.391 43 K HA 0.395 4.716 4.320 0.001 0.000 0.197 43 K C 1.908 178.403 176.600 -0.175 0.000 1.087 43 K CA 0.742 56.968 56.287 -0.102 0.000 1.012 43 K CB 0.583 33.048 32.500 -0.058 0.000 0.925 43 K HN 0.377 nan 8.250 nan 0.000 0.547 44 A N 1.524 124.142 122.820 -0.337 0.000 1.909 44 A HA 0.024 4.344 4.320 0.001 0.000 0.209 44 A C 1.280 178.650 177.584 -0.356 0.000 1.247 44 A CA 0.815 52.548 52.037 -0.508 0.000 0.660 44 A CB -0.141 18.031 19.000 -1.380 0.000 0.910 44 A HN 0.137 nan 8.150 nan 0.000 0.465 45 N N -0.233 118.276 118.700 -0.318 0.000 2.280 45 N HA 0.190 4.931 4.740 0.001 0.000 0.192 45 N C -0.171 175.278 175.510 -0.101 0.000 1.109 45 N CA 0.332 53.280 53.050 -0.169 0.000 0.855 45 N CB 0.385 38.797 38.487 -0.125 0.000 0.974 45 N HN 0.488 nan 8.380 nan 0.000 0.482 46 Q N -1.118 118.620 119.800 -0.103 0.000 2.362 46 Q HA -0.240 4.100 4.340 0.001 0.000 0.220 46 Q C -0.082 175.894 176.000 -0.041 0.000 0.713 46 Q CA 0.684 56.449 55.803 -0.063 0.000 1.345 46 Q CB -0.849 27.860 28.738 -0.048 0.000 1.570 46 Q HN 0.357 nan 8.270 nan 0.000 0.701 47 R N 0.907 121.382 120.500 -0.042 0.000 3.325 47 R HA 0.201 4.541 4.340 0.001 0.000 0.269 47 R C 0.397 176.689 176.300 -0.013 0.000 1.073 47 R CA 0.251 56.339 56.100 -0.020 0.000 1.142 47 R CB -0.028 30.263 30.300 -0.014 0.000 1.050 47 R HN 0.158 nan 8.270 nan 0.000 0.513 48 N N -0.176 118.524 118.700 -0.001 0.000 2.260 48 N HA 0.120 4.861 4.740 0.001 0.000 0.293 48 N C 1.228 176.744 175.510 0.010 0.000 1.058 48 N CA -0.496 52.557 53.050 0.005 0.000 0.824 48 N CB 0.930 39.425 38.487 0.013 0.000 1.551 48 N HN 0.465 nan 8.380 nan 0.000 0.475 49 I N -0.115 120.459 120.570 0.007 0.000 2.229 49 I HA -0.246 3.925 4.170 0.001 0.000 0.250 49 I C 1.063 177.194 176.117 0.024 0.000 1.096 49 I CA 1.626 62.930 61.300 0.006 0.000 1.358 49 I CB -0.952 37.049 38.000 0.002 0.000 1.047 49 I HN 0.586 nan 8.210 nan 0.000 0.422 50 E N 1.679 121.901 120.200 0.037 0.000 2.118 50 E HA -0.182 4.169 4.350 0.001 0.000 0.195 50 E C 1.317 177.948 176.600 0.053 0.000 0.992 50 E CA 1.415 57.848 56.400 0.054 0.000 0.804 50 E CB -0.451 29.282 29.700 0.055 0.000 0.741 50 E HN 0.679 nan 8.360 nan 0.000 0.458 51 D N 0.809 121.233 120.400 0.040 0.000 2.344 51 D HA 0.079 4.719 4.640 0.001 0.000 0.242 51 D C 0.685 177.007 176.300 0.037 0.000 1.159 51 D CA 0.215 54.239 54.000 0.039 0.000 0.859 51 D CB -0.108 40.709 40.800 0.029 0.000 0.925 51 D HN 0.317 nan 8.370 nan 0.000 0.510 52 I N -2.627 117.965 120.570 0.036 0.000 2.667 52 I HA 0.181 4.352 4.170 0.001 0.000 0.288 52 I C -0.186 175.947 176.117 0.026 0.000 1.267 52 I CA -1.171 60.147 61.300 0.030 0.000 1.055 52 I CB 1.310 39.321 38.000 0.018 0.000 1.294 52 I HN -0.307 nan 8.210 nan 0.000 0.429 53 C N 7.268 126.589 119.300 0.035 0.000 2.292 53 C HA 0.056 4.516 4.460 0.001 0.000 0.414 53 C C 1.865 176.848 174.990 -0.012 0.000 1.467 53 C CA 0.084 59.120 59.018 0.030 0.000 1.409 53 C CB -1.772 25.990 27.740 0.036 0.000 2.539 53 C HN 0.779 nan 8.230 nan 0.000 0.626 54 I N 3.655 124.200 120.570 -0.042 0.000 3.551 54 I HA 0.145 4.315 4.170 0.001 0.000 0.307 54 I C 1.220 177.250 176.117 -0.146 0.000 1.215 54 I CA 0.477 61.714 61.300 -0.105 0.000 1.195 54 I CB -0.658 37.248 38.000 -0.156 0.000 0.998 54 I HN 0.678 nan 8.210 nan 0.000 0.510 55 C N -0.684 118.563 119.300 -0.087 0.000 2.403 55 C HA 0.193 4.654 4.460 0.001 0.000 0.380 55 C C 2.594 177.556 174.990 -0.047 0.000 1.490 55 C CA 0.619 59.587 59.018 -0.083 0.000 2.457 55 C CB 0.208 27.923 27.740 -0.042 0.000 2.341 55 C HN 0.793 nan 8.230 nan 0.000 0.626 56 C N 0.550 119.839 119.300 -0.018 0.000 2.865 56 C HA 0.487 4.947 4.460 0.001 0.000 0.280 56 C C 1.840 176.825 174.990 -0.007 0.000 1.255 56 C CA 1.137 60.150 59.018 -0.008 0.000 1.705 56 C CB -1.071 26.674 27.740 0.009 0.000 2.080 56 C HN 1.091 nan 8.230 nan 0.000 0.591 57 G N 1.298 110.094 108.800 -0.007 0.000 2.157 57 G HA2 -0.202 3.759 3.960 0.001 0.000 0.239 57 G HA3 -0.202 3.759 3.960 0.001 0.000 0.239 57 G C 0.291 175.200 174.900 0.014 0.000 0.982 57 G CA 0.621 45.720 45.100 -0.001 0.000 0.650 57 G HN 0.809 nan 8.290 nan 0.000 0.527 58 S N -1.025 114.687 115.700 0.021 0.000 2.589 58 S HA 0.503 4.973 4.470 0.001 0.000 0.265 58 S C 1.481 176.104 174.600 0.037 0.000 1.342 58 S CA 0.313 58.531 58.200 0.031 0.000 1.005 58 S CB 0.592 63.815 63.200 0.038 0.000 0.909 58 S HN 0.476 nan 8.310 nan 0.000 0.555 59 L N 1.691 122.939 121.223 0.040 0.000 2.638 59 L HA 0.317 4.658 4.340 0.001 0.000 0.232 59 L C 0.915 177.815 176.870 0.051 0.000 1.099 59 L CA 0.518 55.383 54.840 0.042 0.000 0.883 59 L CB -0.284 41.797 42.059 0.037 0.000 1.136 59 L HN 0.588 nan 8.230 nan 0.000 0.492 60 Q N 1.700 121.535 119.800 0.058 0.000 3.181 60 Q HA 0.256 4.596 4.340 0.001 0.000 0.293 60 Q C 0.149 176.208 176.000 0.098 0.000 1.406 60 Q CA -0.407 55.438 55.803 0.070 0.000 1.026 60 Q CB 0.231 29.011 28.738 0.069 0.000 1.630 60 Q HN 0.303 nan 8.270 nan 0.000 0.553 61 V N -1.754 118.217 119.914 0.096 0.000 3.672 61 V HA -0.129 3.992 4.120 0.001 0.000 0.301 61 V C 0.864 177.070 176.094 0.186 0.000 1.123 61 V CA 0.456 62.834 62.300 0.130 0.000 1.210 61 V CB 0.575 32.461 31.823 0.104 0.000 1.089 61 V HN 0.742 nan 8.190 nan 0.000 0.491 62 H N -1.117 118.010 119.070 0.094 0.000 3.049 62 H HA 0.221 4.777 4.556 0.001 0.000 0.212 62 H C 0.884 176.283 175.328 0.118 0.000 0.894 62 H CA 1.035 57.144 56.048 0.100 0.000 0.968 62 H CB 1.442 31.271 29.762 0.112 0.000 1.271 62 H HN 0.904 nan 8.280 nan 0.000 0.531 63 T N -0.422 114.318 114.554 0.310 0.000 2.597 63 T HA 0.350 4.700 4.350 0.001 0.000 0.247 63 T C -1.417 173.406 174.700 0.207 0.000 0.894 63 T CA -0.317 61.940 62.100 0.261 0.000 1.250 63 T CB 1.270 70.397 68.868 0.431 0.000 1.600 63 T HN 0.403 nan 8.240 nan 0.000 0.456 64 Q N 0.972 120.891 119.800 0.198 0.000 2.285 64 Q HA 0.508 4.849 4.340 0.001 0.000 0.269 64 Q C -1.258 174.792 176.000 0.084 0.000 1.030 64 Q CA -0.864 55.024 55.803 0.142 0.000 0.788 64 Q CB 1.154 29.962 28.738 0.117 0.000 1.266 64 Q HN 0.761 nan 8.270 nan 0.000 0.438 65 H N 3.744 122.821 119.070 0.011 0.000 3.094 65 H HA 0.043 4.600 4.556 0.001 0.000 0.320 65 H C -1.954 173.323 175.328 -0.084 0.000 1.000 65 H CA -0.162 55.849 56.048 -0.061 0.000 1.413 65 H CB 0.931 30.691 29.762 -0.004 0.000 1.405 65 H HN 0.532 nan 8.280 nan 0.000 0.586 66 P HA -0.186 nan 4.420 nan 0.000 0.202 66 P C 1.313 178.556 177.300 -0.096 0.000 1.189 66 P CA 1.024 63.908 63.100 -0.359 0.000 0.921 66 P CB 0.195 31.615 31.700 -0.466 0.000 0.756 67 L N -2.335 118.807 121.223 -0.135 0.000 1.944 67 L HA -0.135 4.206 4.340 0.001 0.000 0.218 67 L C 1.131 177.760 176.870 -0.402 0.000 1.075 67 L CA 1.718 56.393 54.840 -0.275 0.000 0.767 67 L CB -1.747 40.036 42.059 -0.459 0.000 0.890 67 L HN -0.089 nan 8.230 nan 0.000 0.434 68 F N -0.656 119.418 119.950 0.208 0.000 2.422 68 F HA 0.290 4.817 4.527 0.001 0.000 0.333 68 F C 0.765 176.613 175.800 0.079 0.000 1.095 68 F CA -1.377 56.654 58.000 0.051 0.000 1.038 68 F CB 0.380 39.325 39.000 -0.091 0.000 1.156 68 F HN -0.031 nan 8.300 nan 0.000 0.483 69 E N 1.857 122.168 120.200 0.186 0.000 2.603 69 E HA 0.359 4.710 4.350 0.001 0.000 0.242 69 E C -0.005 176.651 176.600 0.094 0.000 1.083 69 E CA 0.317 56.790 56.400 0.122 0.000 0.950 69 E CB -0.295 29.455 29.700 0.083 0.000 0.952 69 E HN 0.879 nan 8.360 nan 0.000 0.498 70 G N 2.295 111.159 108.800 0.108 0.000 2.358 70 G HA2 0.373 4.333 3.960 0.001 0.000 0.301 70 G HA3 0.373 4.333 3.960 0.001 0.000 0.301 70 G C -0.235 174.737 174.900 0.121 0.000 1.539 70 G CA -0.509 44.633 45.100 0.071 0.000 0.893 70 G HN 0.649 nan 8.290 nan 0.000 0.636 71 G N -1.239 107.618 108.800 0.095 0.000 2.531 71 G HA2 0.801 4.762 3.960 0.001 0.000 0.253 71 G HA3 0.801 4.762 3.960 0.001 0.000 0.253 71 G C -0.124 174.866 174.900 0.148 0.000 1.439 71 G CA -0.446 44.730 45.100 0.127 0.000 1.056 71 G HN 0.965 nan 8.290 nan 0.000 0.555 72 I N -1.928 118.739 120.570 0.162 0.000 3.244 72 I HA 0.336 4.507 4.170 0.001 0.000 0.314 72 I C -0.582 175.640 176.117 0.175 0.000 1.342 72 I CA -0.821 60.581 61.300 0.171 0.000 0.925 72 I CB 2.033 40.173 38.000 0.233 0.000 1.321 72 I HN 0.848 nan 8.210 nan 0.000 0.500 73 C N -0.370 119.019 119.300 0.149 0.000 3.318 73 C HA 0.865 5.326 4.460 0.001 0.000 0.329 73 C C 1.490 176.512 174.990 0.053 0.000 1.449 73 C CA 0.049 59.149 59.018 0.137 0.000 1.397 73 C CB 0.725 28.526 27.740 0.102 0.000 1.810 73 C HN 1.022 nan 8.230 nan 0.000 0.449 74 A N 1.427 124.256 122.820 0.015 0.000 1.862 74 A HA -0.056 4.265 4.320 0.001 0.000 0.217 74 A C -0.234 177.331 177.584 -0.032 0.000 1.251 74 A CA 3.024 55.014 52.037 -0.078 0.000 0.673 74 A CB -2.441 16.560 19.000 0.001 0.000 0.843 74 A HN 0.831 nan 8.150 nan 0.000 0.458 75 P HA -0.227 nan 4.420 nan 0.000 0.216 75 P C 1.706 179.041 177.300 0.058 0.000 1.167 75 P CA 2.039 65.158 63.100 0.032 0.000 0.933 75 P CB -0.446 31.276 31.700 0.036 0.000 0.793 76 C N -0.504 118.840 119.300 0.074 0.000 2.385 76 C HA -0.225 4.236 4.460 0.001 0.000 0.275 76 C C 2.610 177.715 174.990 0.192 0.000 1.199 76 C CA 1.161 60.249 59.018 0.117 0.000 1.782 76 C CB -1.562 26.242 27.740 0.106 0.000 2.068 76 C HN 0.358 nan 8.230 nan 0.000 0.471 77 K N 0.997 121.492 120.400 0.158 0.000 1.980 77 K HA -0.239 4.082 4.320 0.001 0.000 0.223 77 K C 1.553 178.260 176.600 0.179 0.000 1.052 77 K CA 2.552 58.961 56.287 0.202 0.000 0.974 77 K CB -0.481 32.011 32.500 -0.012 0.000 0.734 77 K HN 0.390 nan 8.250 nan 0.000 0.447 78 D N 0.873 121.316 120.400 0.072 0.000 2.286 78 D HA -0.232 4.409 4.640 0.001 0.000 0.197 78 D C 1.850 178.211 176.300 0.101 0.000 1.015 78 D CA 1.490 55.522 54.000 0.054 0.000 0.871 78 D CB -0.507 40.311 40.800 0.030 0.000 1.044 78 D HN 0.240 nan 8.370 nan 0.000 0.459 79 K N 0.306 120.775 120.400 0.115 0.000 2.117 79 K HA -0.232 4.089 4.320 0.001 0.000 0.215 79 K C 2.241 178.974 176.600 0.222 0.000 1.053 79 K CA 0.980 57.352 56.287 0.143 0.000 0.935 79 K CB -1.243 31.343 32.500 0.143 0.000 0.719 79 K HN 0.393 nan 8.250 nan 0.000 0.460 80 F N 1.213 121.213 119.950 0.083 0.000 2.011 80 F HA -0.283 4.244 4.527 0.001 0.000 0.296 80 F C 2.105 177.934 175.800 0.047 0.000 1.144 80 F CA 0.920 58.980 58.000 0.099 0.000 1.185 80 F CB -0.158 38.958 39.000 0.192 0.000 0.961 80 F HN -0.101 nan 8.300 nan 0.000 0.485 81 L N 0.809 122.057 121.223 0.041 0.000 2.357 81 L HA -0.292 4.049 4.340 0.001 0.000 0.220 81 L C 2.000 178.793 176.870 -0.129 0.000 1.123 81 L CA 1.693 56.411 54.840 -0.203 0.000 0.782 81 L CB -1.192 40.745 42.059 -0.203 0.000 0.910 81 L HN 0.335 nan 8.230 nan 0.000 0.442 82 D N 0.002 120.379 120.400 -0.039 0.000 2.178 82 D HA -0.049 4.591 4.640 0.001 0.000 0.202 82 D C 0.734 176.953 176.300 -0.134 0.000 0.974 82 D CA 1.081 55.039 54.000 -0.070 0.000 0.841 82 D CB 0.382 41.160 40.800 -0.038 0.000 0.953 82 D HN 0.294 nan 8.370 nan 0.000 0.478 83 A N 0.640 123.380 122.820 -0.133 0.000 2.709 83 A HA 0.444 4.764 4.320 0.001 0.000 0.332 83 A C 0.564 178.126 177.584 -0.036 0.000 1.241 83 A CA -0.502 51.407 52.037 -0.215 0.000 0.782 83 A CB 0.329 18.961 19.000 -0.614 0.000 1.109 83 A HN 0.189 nan 8.150 nan 0.000 0.472 84 L N -0.076 121.132 121.223 -0.025 0.000 2.467 84 L HA 0.348 4.688 4.340 0.001 0.000 0.213 84 L C 0.454 177.414 176.870 0.149 0.000 1.053 84 L CA 0.759 55.620 54.840 0.034 0.000 0.847 84 L CB 0.250 42.276 42.059 -0.056 0.000 1.075 84 L HN 0.632 nan 8.230 nan 0.000 0.479 85 F N 0.090 120.028 119.950 -0.020 0.000 2.815 85 F HA 0.293 4.820 4.527 0.001 0.000 0.335 85 F C 0.108 176.015 175.800 0.178 0.000 1.179 85 F CA -0.684 57.365 58.000 0.082 0.000 1.204 85 F CB 0.613 39.598 39.000 -0.024 0.000 1.050 85 F HN -0.233 nan 8.300 nan 0.000 0.510 86 L N 1.052 122.409 121.223 0.223 0.000 2.416 86 L HA 0.107 4.447 4.340 0.001 0.000 0.272 86 L C -0.214 176.861 176.870 0.342 0.000 1.161 86 L CA 0.518 55.471 54.840 0.188 0.000 0.845 86 L CB -0.149 41.907 42.059 -0.005 0.000 1.119 86 L HN 0.128 nan 8.230 nan 0.000 0.464 87 Y N 1.098 121.405 120.300 0.012 0.000 2.833 87 Y HA 0.558 5.108 4.550 0.001 0.000 0.319 87 Y C -0.014 175.911 175.900 0.042 0.000 1.254 87 Y CA -1.257 56.853 58.100 0.017 0.000 1.138 87 Y CB 1.319 39.779 38.460 -0.000 0.000 1.352 87 Y HN 0.496 nan 8.280 nan 0.000 0.546 88 D N -0.782 119.736 120.400 0.196 0.000 2.661 88 D HA 0.120 4.760 4.640 0.001 0.000 0.228 88 D C -0.187 176.185 176.300 0.121 0.000 1.210 88 D CA -0.392 53.684 54.000 0.127 0.000 0.826 88 D CB 2.140 42.988 40.800 0.079 0.000 1.542 88 D HN 0.497 nan 8.370 nan 0.000 0.447 89 D N 0.810 121.261 120.400 0.084 0.000 2.248 89 D HA -0.228 4.413 4.640 0.001 0.000 0.191 89 D C 1.273 177.621 176.300 0.081 0.000 1.013 89 D CA 1.784 55.823 54.000 0.065 0.000 0.883 89 D CB 0.155 40.978 40.800 0.039 0.000 0.915 89 D HN 0.550 nan 8.370 nan 0.000 0.448 90 D N -0.537 119.916 120.400 0.087 0.000 2.149 90 D HA -0.103 4.537 4.640 0.001 0.000 0.198 90 D C 1.619 178.054 176.300 0.224 0.000 0.990 90 D CA 1.722 55.792 54.000 0.117 0.000 0.839 90 D CB -0.651 40.185 40.800 0.061 0.000 0.948 90 D HN 0.372 nan 8.370 nan 0.000 0.460 91 G N -1.360 107.576 108.800 0.226 0.000 2.151 91 G HA2 -0.148 3.813 3.960 0.001 0.000 0.156 91 G HA3 -0.148 3.813 3.960 0.001 0.000 0.156 91 G C -0.480 174.398 174.900 -0.037 0.000 1.017 91 G CA -0.131 45.064 45.100 0.158 0.000 0.686 91 G HN 0.320 nan 8.290 nan 0.000 0.503 92 Y N -0.389 119.788 120.300 -0.204 0.000 2.665 92 Y HA 0.678 5.229 4.550 0.001 0.000 0.336 92 Y C 0.808 176.343 175.900 -0.608 0.000 1.085 92 Y CA -1.192 56.669 58.100 -0.398 0.000 1.096 92 Y CB 0.487 38.807 38.460 -0.233 0.000 1.301 92 Y HN 0.109 nan 8.280 nan 0.000 0.493 93 Q N 0.013 119.548 119.800 -0.442 0.000 2.616 93 Q HA -0.040 4.300 4.340 0.001 0.000 0.269 93 Q C 0.722 176.622 176.000 -0.167 0.000 1.148 93 Q CA 0.781 56.339 55.803 -0.409 0.000 1.003 93 Q CB 0.665 29.242 28.738 -0.268 0.000 1.322 93 Q HN 0.826 nan 8.270 nan 0.000 0.518 94 S N -0.597 115.079 115.700 -0.040 0.000 2.694 94 S HA 0.150 4.620 4.470 0.001 0.000 0.225 94 S C 0.241 175.038 174.600 0.329 0.000 1.012 94 S CA -0.081 58.215 58.200 0.160 0.000 0.896 94 S CB 0.144 63.479 63.200 0.226 0.000 0.838 94 S HN 0.519 nan 8.310 nan 0.000 0.604 95 Y N -0.012 120.254 120.300 -0.056 0.000 2.645 95 Y HA 0.510 5.060 4.550 0.001 0.000 0.341 95 Y C 0.490 176.336 175.900 -0.090 0.000 1.234 95 Y CA -1.540 56.527 58.100 -0.054 0.000 1.352 95 Y CB 0.417 38.871 38.460 -0.010 0.000 1.556 95 Y HN 0.180 nan 8.280 nan 0.000 0.607 96 C N 0.769 120.126 119.300 0.096 0.000 2.388 96 C HA 0.195 4.656 4.460 0.001 0.000 0.362 96 C C 1.537 176.481 174.990 -0.076 0.000 1.266 96 C CA -0.234 58.765 59.018 -0.032 0.000 2.028 96 C CB 0.082 27.799 27.740 -0.039 0.000 2.440 96 C HN 0.874 nan 8.230 nan 0.000 0.547 97 S N 3.193 118.809 115.700 -0.140 0.000 2.469 97 S HA -0.103 4.368 4.470 0.001 0.000 0.238 97 S C 1.164 175.737 174.600 -0.044 0.000 0.998 97 S CA 1.356 59.504 58.200 -0.086 0.000 0.957 97 S CB -0.177 62.941 63.200 -0.137 0.000 0.764 97 S HN 0.788 nan 8.310 nan 0.000 0.514 98 I N -0.352 120.164 120.570 -0.090 0.000 3.883 98 I HA 0.092 4.262 4.170 0.001 0.000 0.305 98 I C 1.833 177.822 176.117 -0.213 0.000 1.247 98 I CA 0.236 61.435 61.300 -0.168 0.000 1.350 98 I CB 0.051 37.910 38.000 -0.236 0.000 1.194 98 I HN 0.440 nan 8.210 nan 0.000 0.441 99 C N -3.233 115.976 119.300 -0.152 0.000 2.553 99 C HA 0.405 4.865 4.460 0.001 0.000 0.447 99 C C 1.070 176.033 174.990 -0.046 0.000 1.351 99 C CA -0.629 58.327 59.018 -0.103 0.000 2.354 99 C CB 0.440 28.139 27.740 -0.069 0.000 2.905 99 C HN 0.484 nan 8.230 nan 0.000 0.554 100 C N 2.623 121.923 119.300 0.001 0.000 4.585 100 C HA 0.050 4.510 4.460 0.001 0.000 0.310 100 C C 0.367 175.434 174.990 0.128 0.000 1.096 100 C CA 0.559 59.690 59.018 0.187 0.000 2.659 100 C CB -3.149 24.751 27.740 0.267 0.000 1.196 100 C HN 0.940 nan 8.230 nan 0.000 0.709 101 S N -0.154 115.506 115.700 -0.067 0.000 2.509 101 S HA 0.657 5.128 4.470 0.001 0.000 0.297 101 S C 0.946 175.322 174.600 -0.373 0.000 1.118 101 S CA 0.587 58.648 58.200 -0.231 0.000 1.074 101 S CB 1.562 64.678 63.200 -0.141 0.000 1.038 101 S HN 1.090 nan 8.310 nan 0.000 0.498 102 G N 2.568 111.039 108.800 -0.550 0.000 3.337 102 G HA2 0.154 4.114 3.960 0.001 0.000 0.246 102 G HA3 0.154 4.114 3.960 0.001 0.000 0.246 102 G C 0.797 175.534 174.900 -0.271 0.000 1.131 102 G CA -0.256 44.569 45.100 -0.459 0.000 0.773 102 G HN 0.701 nan 8.290 nan 0.000 0.544 103 E N 0.164 120.226 120.200 -0.230 0.000 2.216 103 E HA 0.013 4.363 4.350 0.001 0.000 0.192 103 E C 0.605 177.094 176.600 -0.185 0.000 0.988 103 E CA 0.750 57.049 56.400 -0.169 0.000 0.834 103 E CB 0.352 29.976 29.700 -0.127 0.000 0.772 103 E HN 0.262 nan 8.360 nan 0.000 0.479 104 T N -0.091 114.313 114.554 -0.249 0.000 3.933 104 T HA 0.477 4.828 4.350 0.001 0.000 0.379 104 T C -1.784 172.621 174.700 -0.493 0.000 1.232 104 T CA -0.540 61.319 62.100 -0.400 0.000 1.122 104 T CB -0.042 68.547 68.868 -0.465 0.000 1.239 104 T HN -0.062 nan 8.240 nan 0.000 0.475 105 L N 4.147 125.088 121.223 -0.470 0.000 2.393 105 L HA 0.681 5.021 4.340 0.001 0.000 0.260 105 L C -0.853 175.842 176.870 -0.292 0.000 1.002 105 L CA -1.160 53.480 54.840 -0.333 0.000 0.818 105 L CB 2.399 44.346 42.059 -0.185 0.000 1.369 105 L HN 0.473 nan 8.230 nan 0.000 0.412 106 L N 2.862 124.032 121.223 -0.089 0.000 2.265 106 L HA 0.495 4.836 4.340 0.001 0.000 0.289 106 L C -0.160 176.842 176.870 0.221 0.000 1.033 106 L CA -0.372 54.496 54.840 0.046 0.000 0.814 106 L CB 1.531 43.663 42.059 0.121 0.000 1.203 106 L HN 0.435 nan 8.230 nan 0.000 0.423 107 I N 2.168 122.810 120.570 0.119 0.000 2.720 107 I HA 0.038 4.209 4.170 0.001 0.000 0.287 107 I C 0.348 176.638 176.117 0.288 0.000 1.090 107 I CA -0.060 61.324 61.300 0.139 0.000 1.384 107 I CB 1.408 39.370 38.000 -0.063 0.000 1.420 107 I HN 0.607 nan 8.210 nan 0.000 0.575 108 C N 4.440 123.870 119.300 0.216 0.000 2.388 108 C HA 0.472 4.932 4.460 0.001 0.000 0.362 108 C C 1.543 176.602 174.990 0.115 0.000 1.266 108 C CA -0.449 58.622 59.018 0.088 0.000 2.028 108 C CB 0.100 27.828 27.740 -0.021 0.000 2.440 108 C HN 0.984 nan 8.230 nan 0.000 0.547 109 G N 4.108 112.953 108.800 0.075 0.000 3.026 109 G HA2 0.021 3.982 3.960 0.001 0.000 0.208 109 G HA3 0.021 3.982 3.960 0.001 0.000 0.208 109 G C 0.440 175.377 174.900 0.062 0.000 1.169 109 G CA 0.041 45.197 45.100 0.095 0.000 0.788 109 G HN 0.745 nan 8.290 nan 0.000 0.533 110 N N 0.835 119.552 118.700 0.027 0.000 2.408 110 N HA 0.239 4.979 4.740 0.001 0.000 0.257 110 N C -1.552 173.989 175.510 0.052 0.000 1.064 110 N CA -1.997 51.070 53.050 0.028 0.000 0.952 110 N CB 2.016 40.502 38.487 -0.002 0.000 1.093 110 N HN -0.144 nan 8.380 nan 0.000 0.490 111 P HA -0.134 nan 4.420 nan 0.000 0.218 111 P C 0.197 177.575 177.300 0.129 0.000 1.146 111 P CA 1.231 64.421 63.100 0.152 0.000 0.820 111 P CB 0.433 32.242 31.700 0.182 0.000 0.778 112 D N -2.100 118.353 120.400 0.088 0.000 2.289 112 D HA -0.023 4.617 4.640 0.001 0.000 0.207 112 D C 0.832 177.107 176.300 -0.041 0.000 0.966 112 D CA 0.411 54.448 54.000 0.061 0.000 0.868 112 D CB -0.616 40.232 40.800 0.080 0.000 0.943 112 D HN 0.180 nan 8.370 nan 0.000 0.514 113 C N 0.868 120.133 119.300 -0.057 0.000 2.351 113 C HA 0.597 5.058 4.460 0.001 0.000 0.359 113 C C 0.711 175.578 174.990 -0.205 0.000 1.193 113 C CA -0.108 58.857 59.018 -0.089 0.000 2.270 113 C CB 0.558 28.276 27.740 -0.037 0.000 2.369 113 C HN 0.393 nan 8.230 nan 0.000 0.553 114 T N 1.472 115.890 114.554 -0.227 0.000 4.152 114 T HA 0.392 4.743 4.350 0.001 0.000 0.237 114 T C -0.516 174.032 174.700 -0.252 0.000 0.971 114 T CA -0.497 61.382 62.100 -0.368 0.000 1.328 114 T CB -0.419 68.101 68.868 -0.581 0.000 0.912 114 T HN 0.817 nan 8.240 nan 0.000 0.587 115 R N 0.171 120.581 120.500 -0.149 0.000 2.711 115 R HA 0.842 5.182 4.340 0.001 0.000 0.284 115 R C -0.992 175.158 176.300 -0.250 0.000 0.968 115 R CA -0.775 55.186 56.100 -0.231 0.000 0.924 115 R CB 1.895 32.058 30.300 -0.229 0.000 1.162 115 R HN 0.403 nan 8.270 nan 0.000 0.465 116 C N 1.854 120.920 119.300 -0.389 0.000 2.609 116 C HA 0.555 5.016 4.460 0.001 0.000 0.313 116 C C -1.082 173.659 174.990 -0.415 0.000 1.175 116 C CA -1.036 57.814 59.018 -0.280 0.000 1.434 116 C CB 0.690 28.365 27.740 -0.109 0.000 2.005 116 C HN 0.777 nan 8.230 nan 0.000 0.471 117 Y N -0.153 120.181 120.300 0.057 0.000 2.549 117 Y HA 0.585 5.135 4.550 0.001 0.000 0.339 117 Y C 0.934 176.816 175.900 -0.031 0.000 1.053 117 Y CA -0.982 57.141 58.100 0.038 0.000 1.105 117 Y CB 0.401 38.938 38.460 0.128 0.000 1.258 117 Y HN 0.651 nan 8.280 nan 0.000 0.478 118 C N 0.505 119.875 119.300 0.117 0.000 2.894 118 C HA 0.062 4.522 4.460 0.001 0.000 0.266 118 C C 1.702 176.749 174.990 0.094 0.000 1.773 118 C CA 0.012 59.030 59.018 -0.001 0.000 1.953 118 C CB -0.186 27.557 27.740 0.006 0.000 1.978 118 C HN 0.944 nan 8.230 nan 0.000 0.615 119 F N -0.673 119.266 119.950 -0.018 0.000 2.539 119 F HA 0.025 4.553 4.527 0.001 0.000 0.277 119 F C 2.457 178.232 175.800 -0.042 0.000 0.925 119 F CA 0.007 57.984 58.000 -0.037 0.000 1.193 119 F CB -0.390 38.585 39.000 -0.041 0.000 1.128 119 F HN 0.626 nan 8.300 nan 0.000 0.740 120 E N 0.204 120.516 120.200 0.186 0.000 2.136 120 E HA -0.312 4.038 4.350 0.001 0.000 0.202 120 E C 2.061 178.673 176.600 0.020 0.000 1.019 120 E CA 1.758 58.198 56.400 0.066 0.000 0.819 120 E CB -0.507 29.215 29.700 0.037 0.000 0.739 120 E HN 0.414 nan 8.360 nan 0.000 0.458 121 C N 0.372 119.682 119.300 0.016 0.000 2.418 121 C HA -0.159 4.301 4.460 0.001 0.000 0.280 121 C C 2.829 177.785 174.990 -0.057 0.000 1.223 121 C CA 1.015 60.010 59.018 -0.037 0.000 1.736 121 C CB -0.958 26.755 27.740 -0.045 0.000 2.056 121 C HN 0.307 nan 8.230 nan 0.000 0.459 122 V N 1.552 121.458 119.914 -0.014 0.000 2.226 122 V HA -0.341 3.779 4.120 0.001 0.000 0.254 122 V C 2.067 178.127 176.094 -0.057 0.000 1.065 122 V CA 2.614 64.895 62.300 -0.032 0.000 1.039 122 V CB -1.117 30.730 31.823 0.041 0.000 0.653 122 V HN 0.521 nan 8.190 nan 0.000 0.450 123 D N 0.650 121.027 120.400 -0.038 0.000 2.190 123 D HA -0.133 4.508 4.640 0.001 0.000 0.200 123 D C 2.380 178.646 176.300 -0.056 0.000 0.992 123 D CA 1.986 55.954 54.000 -0.052 0.000 0.854 123 D CB -0.158 40.608 40.800 -0.055 0.000 0.936 123 D HN 0.708 nan 8.370 nan 0.000 0.462 124 S N -0.686 114.979 115.700 -0.058 0.000 2.496 124 S HA 0.045 4.515 4.470 0.001 0.000 0.224 124 S C 2.010 176.563 174.600 -0.078 0.000 0.996 124 S CA 0.218 58.382 58.200 -0.060 0.000 0.927 124 S CB 0.095 63.262 63.200 -0.055 0.000 0.774 124 S HN 0.195 nan 8.310 nan 0.000 0.524 125 L N 0.347 121.502 121.223 -0.113 0.000 2.783 125 L HA 0.212 4.553 4.340 0.001 0.000 0.174 125 L C 2.388 179.176 176.870 -0.137 0.000 1.235 125 L CA 0.257 55.010 54.840 -0.145 0.000 0.862 125 L CB -0.826 41.095 42.059 -0.231 0.000 1.249 125 L HN 0.085 nan 8.230 nan 0.000 0.518 126 V N 0.420 120.232 119.914 -0.171 0.000 2.317 126 V HA -0.117 4.004 4.120 0.001 0.000 0.251 126 V C 0.933 176.988 176.094 -0.066 0.000 1.065 126 V CA 1.464 63.689 62.300 -0.126 0.000 1.049 126 V CB -1.454 30.320 31.823 -0.081 0.000 0.651 126 V HN 0.676 nan 8.190 nan 0.000 0.450 127 G N -0.977 107.787 108.800 -0.060 0.000 2.462 127 G HA2 0.159 4.119 3.960 0.001 0.000 0.424 127 G HA3 0.159 4.119 3.960 0.001 0.000 0.424 127 G C -3.280 171.593 174.900 -0.044 0.000 1.573 127 G CA -1.001 44.073 45.100 -0.043 0.000 0.913 127 G HN 0.142 nan 8.290 nan 0.000 0.672 128 P HA 0.287 nan 4.420 nan 0.000 0.263 128 P C 1.307 178.573 177.300 -0.057 0.000 1.168 128 P CA 2.427 65.496 63.100 -0.051 0.000 0.759 128 P CB 0.710 32.384 31.700 -0.044 0.000 0.782 129 G N 1.457 110.212 108.800 -0.075 0.000 2.232 129 G HA2 -0.295 3.665 3.960 0.001 0.000 0.226 129 G HA3 -0.295 3.665 3.960 0.001 0.000 0.226 129 G C 1.136 175.978 174.900 -0.097 0.000 0.996 129 G CA 0.502 45.552 45.100 -0.084 0.000 0.626 129 G HN 0.543 nan 8.290 nan 0.000 0.509 130 T N 0.945 115.446 114.554 -0.087 0.000 2.643 130 T HA -0.079 4.271 4.350 0.001 0.000 0.264 130 T C 2.770 177.379 174.700 -0.152 0.000 1.045 130 T CA 2.749 64.791 62.100 -0.096 0.000 1.155 130 T CB -1.125 67.713 68.868 -0.049 0.000 0.863 130 T HN 1.519 nan 8.240 nan 0.000 0.420 131 S N 2.218 117.824 115.700 -0.157 0.000 2.422 131 S HA -0.184 4.286 4.470 0.001 0.000 0.241 131 S C 2.236 176.682 174.600 -0.257 0.000 1.076 131 S CA 1.563 59.627 58.200 -0.227 0.000 1.066 131 S CB -1.694 61.295 63.200 -0.352 0.000 0.890 131 S HN 0.766 nan 8.310 nan 0.000 0.465 132 G N 2.201 110.868 108.800 -0.222 0.000 2.499 132 G HA2 -0.049 3.912 3.960 0.001 0.000 0.213 132 G HA3 -0.049 3.912 3.960 0.001 0.000 0.213 132 G C 1.351 176.158 174.900 -0.155 0.000 1.230 132 G CA 0.567 45.555 45.100 -0.187 0.000 0.813 132 G HN 0.580 nan 8.290 nan 0.000 0.542 133 K N 0.198 120.509 120.400 -0.148 0.000 2.207 133 K HA -0.160 4.161 4.320 0.001 0.000 0.208 133 K C 2.403 178.883 176.600 -0.200 0.000 1.046 133 K CA 1.424 57.628 56.287 -0.137 0.000 0.929 133 K CB -0.411 32.024 32.500 -0.109 0.000 0.720 133 K HN 0.273 nan 8.250 nan 0.000 0.463 134 V N 0.198 119.932 119.914 -0.301 0.000 2.302 134 V HA -0.209 3.911 4.120 0.001 0.000 0.243 134 V C 2.099 177.978 176.094 -0.360 0.000 1.036 134 V CA 1.692 63.645 62.300 -0.579 0.000 1.020 134 V CB -0.617 30.724 31.823 -0.804 0.000 0.657 134 V HN 0.401 nan 8.190 nan 0.000 0.453 135 H N -0.047 118.846 119.070 -0.296 0.000 2.567 135 H HA 0.021 4.577 4.556 0.001 0.000 0.276 135 H C 2.014 177.264 175.328 -0.130 0.000 1.016 135 H CA 0.513 56.465 56.048 -0.161 0.000 1.186 135 H CB 0.213 29.904 29.762 -0.119 0.000 1.351 135 H HN 0.449 nan 8.280 nan 0.000 0.605 136 A N 0.282 123.084 122.820 -0.030 0.000 2.081 136 A HA 0.118 4.439 4.320 0.001 0.000 0.214 136 A C 1.037 178.609 177.584 -0.021 0.000 1.158 136 A CA 0.069 52.074 52.037 -0.053 0.000 0.724 136 A CB 0.060 19.010 19.000 -0.082 0.000 0.826 136 A HN 0.285 nan 8.150 nan 0.000 0.463 137 M N -1.702 117.886 119.600 -0.021 0.000 2.369 137 M HA 0.374 4.854 4.480 0.001 0.000 0.291 137 M C 0.720 177.061 176.300 0.067 0.000 1.178 137 M CA -0.247 55.069 55.300 0.027 0.000 0.996 137 M CB 1.334 33.965 32.600 0.051 0.000 1.472 137 M HN 0.004 nan 8.290 nan 0.000 0.496 138 S N -0.528 115.222 115.700 0.083 0.000 2.619 138 S HA 0.175 4.645 4.470 0.001 0.000 0.238 138 S C 0.365 175.032 174.600 0.113 0.000 1.068 138 S CA -0.217 58.036 58.200 0.088 0.000 0.926 138 S CB 0.329 63.567 63.200 0.063 0.000 0.864 138 S HN 0.636 nan 8.310 nan 0.000 0.493 139 N N 1.079 119.853 118.700 0.124 0.000 2.908 139 N HA 0.167 4.907 4.740 0.001 0.000 0.316 139 N C -1.189 174.433 175.510 0.187 0.000 1.619 139 N CA -0.171 52.955 53.050 0.125 0.000 1.045 139 N CB 0.347 38.886 38.487 0.087 0.000 1.357 139 N HN 0.335 nan 8.380 nan 0.000 0.501 140 W N 2.169 123.470 121.300 0.000 0.000 2.251 140 W HA 0.360 5.021 4.660 0.001 0.000 0.329 140 W C -0.045 176.460 176.519 -0.024 0.000 1.234 140 W CA -0.794 56.537 57.345 -0.024 0.000 1.228 140 W CB 0.807 30.244 29.460 -0.038 0.000 1.135 140 W HN -0.043 nan 8.180 nan 0.000 0.576 141 V N 5.755 125.203 119.914 -0.777 0.000 2.483 141 V HA 0.398 4.518 4.120 0.001 0.000 0.297 141 V C 0.679 175.888 176.094 -1.474 0.000 1.027 141 V CA -1.542 60.290 62.300 -0.781 0.000 0.855 141 V CB -0.490 31.119 31.823 -0.357 0.000 0.995 141 V HN 0.930 nan 8.190 nan 0.000 0.424 142 C N 4.397 122.923 119.300 -1.291 0.000 2.987 142 C HA 0.139 4.599 4.460 0.001 0.000 0.252 142 C C 1.523 175.995 174.990 -0.863 0.000 1.445 142 C CA 0.656 58.883 59.018 -1.319 0.000 1.776 142 C CB -0.708 26.826 27.740 -0.344 0.000 2.014 142 C HN 0.869 nan 8.230 nan 0.000 0.640 143 Y N -0.186 119.975 120.300 -0.231 0.000 2.397 143 Y HA 0.188 4.739 4.550 0.001 0.000 0.292 143 Y C 2.369 178.287 175.900 0.031 0.000 1.115 143 Y CA 1.005 59.084 58.100 -0.034 0.000 1.208 143 Y CB -0.197 38.317 38.460 0.089 0.000 1.046 143 Y HN 0.419 nan 8.280 nan 0.000 0.552 144 L N -2.243 119.081 121.223 0.169 0.000 2.202 144 L HA -0.111 4.230 4.340 0.001 0.000 0.205 144 L C 2.236 179.165 176.870 0.098 0.000 1.083 144 L CA 0.335 55.207 54.840 0.053 0.000 0.790 144 L CB -0.761 41.225 42.059 -0.122 0.000 0.942 144 L HN 0.214 nan 8.230 nan 0.000 0.452 145 C N 0.760 120.082 119.300 0.037 0.000 2.401 145 C HA -0.041 4.419 4.460 0.001 0.000 0.286 145 C C 1.281 176.274 174.990 0.005 0.000 1.332 145 C CA 0.413 59.437 59.018 0.010 0.000 1.795 145 C CB -1.131 26.554 27.740 -0.093 0.000 1.922 145 C HN 0.331 nan 8.230 nan 0.000 0.520 146 L N -0.344 120.872 121.223 -0.011 0.000 2.341 146 L HA 0.662 5.003 4.340 0.001 0.000 0.267 146 L C -2.738 174.166 176.870 0.056 0.000 1.009 146 L CA -1.724 53.118 54.840 0.004 0.000 0.819 146 L CB 1.621 43.649 42.059 -0.052 0.000 1.323 146 L HN -0.228 nan 8.230 nan 0.000 0.425 147 P HA 0.234 nan 4.420 nan 0.000 0.284 147 P C -1.007 176.332 177.300 0.065 0.000 1.343 147 P CA 0.139 63.280 63.100 0.068 0.000 0.826 147 P CB 0.823 32.550 31.700 0.046 0.000 0.956 148 S N 1.272 117.022 115.700 0.082 0.000 2.680 148 S HA 0.263 4.733 4.470 0.001 0.000 0.284 148 S C 0.217 174.873 174.600 0.093 0.000 1.055 148 S CA -0.592 57.656 58.200 0.080 0.000 0.849 148 S CB 0.315 63.565 63.200 0.083 0.000 1.068 148 S HN 0.130 nan 8.310 nan 0.000 0.453 149 S N 0.933 116.682 115.700 0.080 0.000 2.433 149 S HA 0.314 4.784 4.470 0.001 0.000 0.216 149 S C 0.739 175.384 174.600 0.076 0.000 1.031 149 S CA 0.085 58.333 58.200 0.079 0.000 0.931 149 S CB -0.246 62.993 63.200 0.066 0.000 0.875 149 S HN 0.798 nan 8.310 nan 0.000 0.553 150 R N 1.531 122.066 120.500 0.059 0.000 2.338 150 R HA 0.500 4.841 4.340 0.001 0.000 0.317 150 R C -1.555 174.768 176.300 0.039 0.000 0.968 150 R CA 0.015 56.139 56.100 0.040 0.000 0.849 150 R CB 0.997 31.313 30.300 0.027 0.000 1.128 150 R HN 0.126 nan 8.270 nan 0.000 0.448 151 S N 2.606 118.313 115.700 0.012 0.000 2.774 151 S HA 0.442 4.913 4.470 0.001 0.000 0.297 151 S C 0.319 174.894 174.600 -0.041 0.000 1.143 151 S CA 0.089 58.300 58.200 0.019 0.000 1.090 151 S CB 1.582 64.829 63.200 0.078 0.000 1.019 151 S HN 1.034 nan 8.310 nan 0.000 0.482 152 G N 3.100 111.888 108.800 -0.021 0.000 3.181 152 G HA2 -0.261 3.700 3.960 0.001 0.000 0.322 152 G HA3 -0.261 3.700 3.960 0.001 0.000 0.322 152 G C 0.261 175.131 174.900 -0.050 0.000 1.246 152 G CA 0.713 45.789 45.100 -0.039 0.000 0.989 152 G HN 0.660 nan 8.290 nan 0.000 0.607 153 L N -0.146 121.026 121.223 -0.084 0.000 3.333 153 L HA 0.508 4.848 4.340 0.001 0.000 0.299 153 L C -0.075 176.731 176.870 -0.107 0.000 1.256 153 L CA -0.352 54.441 54.840 -0.077 0.000 1.037 153 L CB 0.953 42.968 42.059 -0.073 0.000 1.423 153 L HN 0.320 nan 8.230 nan 0.000 0.605 154 L N 1.381 122.515 121.223 -0.149 0.000 2.282 154 L HA 0.431 4.772 4.340 0.001 0.000 0.288 154 L C -0.216 176.641 176.870 -0.021 0.000 1.033 154 L CA 0.123 54.852 54.840 -0.185 0.000 0.807 154 L CB 1.433 43.212 42.059 -0.467 0.000 1.209 154 L HN 0.068 nan 8.230 nan 0.000 0.423 155 Q N 4.188 124.043 119.800 0.092 0.000 2.309 155 Q HA 0.373 4.713 4.340 0.001 0.000 0.270 155 Q C -0.927 175.164 176.000 0.152 0.000 1.023 155 Q CA -0.436 55.435 55.803 0.114 0.000 0.758 155 Q CB 1.136 29.917 28.738 0.072 0.000 1.247 155 Q HN 0.554 nan 8.270 nan 0.000 0.455 156 R N 4.479 125.026 120.500 0.078 0.000 2.308 156 R HA 0.245 4.585 4.340 0.001 0.000 0.325 156 R C -0.489 175.793 176.300 -0.030 0.000 1.161 156 R CA -0.462 55.550 56.100 -0.148 0.000 1.022 156 R CB 0.352 30.559 30.300 -0.156 0.000 1.091 156 R HN 0.627 nan 8.270 nan 0.000 0.497 157 R N 3.275 123.770 120.500 -0.008 0.000 2.505 157 R HA -0.142 4.198 4.340 0.001 0.000 0.274 157 R C -0.118 176.299 176.300 0.195 0.000 0.955 157 R CA 0.701 56.866 56.100 0.110 0.000 1.109 157 R CB 0.096 30.482 30.300 0.144 0.000 0.890 157 R HN 0.558 nan 8.270 nan 0.000 0.415 158 R N 3.484 124.076 120.500 0.153 0.000 2.345 158 R HA -0.007 4.334 4.340 0.001 0.000 0.331 158 R C -0.038 176.355 176.300 0.156 0.000 1.067 158 R CA -0.025 56.168 56.100 0.155 0.000 0.962 158 R CB 0.290 30.654 30.300 0.107 0.000 0.987 158 R HN 0.336 nan 8.270 nan 0.000 0.451 159 K N 3.099 123.610 120.400 0.185 0.000 5.422 159 K HA -0.136 4.184 4.320 0.001 0.000 0.441 159 K C 0.450 177.080 176.600 0.050 0.000 1.132 159 K CA 0.526 56.839 56.287 0.045 0.000 1.304 159 K CB -0.946 31.568 32.500 0.024 0.000 1.710 159 K HN 0.806 nan 8.250 nan 0.000 0.405 160 W N 1.584 122.891 121.300 0.013 0.000 2.539 160 W HA 0.071 4.732 4.660 0.001 0.000 0.281 160 W C 1.455 177.994 176.519 0.034 0.000 1.220 160 W CA 0.149 57.493 57.345 -0.003 0.000 1.332 160 W CB -0.767 28.651 29.460 -0.069 0.000 1.095 160 W HN 0.260 nan 8.180 nan 0.000 0.571 161 R N 1.678 121.683 120.500 -0.824 0.000 2.165 161 R HA -0.257 4.083 4.340 0.001 0.000 0.254 161 R C 2.527 178.736 176.300 -0.152 0.000 1.153 161 R CA 3.168 58.899 56.100 -0.615 0.000 0.971 161 R CB -0.993 28.921 30.300 -0.644 0.000 0.878 161 R HN 0.336 nan 8.270 nan 0.000 0.449 162 S N 0.612 116.256 115.700 -0.094 0.000 2.329 162 S HA -0.174 4.296 4.470 0.001 0.000 0.215 162 S C 1.908 176.561 174.600 0.089 0.000 1.031 162 S CA 0.764 58.974 58.200 0.016 0.000 0.985 162 S CB -0.368 62.842 63.200 0.017 0.000 0.917 162 S HN 0.139 nan 8.310 nan 0.000 0.441 163 Q N 1.168 121.031 119.800 0.106 0.000 2.290 163 Q HA -0.054 4.286 4.340 0.001 0.000 0.211 163 Q C 1.941 178.066 176.000 0.209 0.000 0.991 163 Q CA 1.512 57.407 55.803 0.152 0.000 0.893 163 Q CB -0.720 28.106 28.738 0.148 0.000 0.913 163 Q HN 0.701 nan 8.270 nan 0.000 0.428 164 L N -0.204 121.146 121.223 0.213 0.000 1.993 164 L HA -0.219 4.122 4.340 0.001 0.000 0.206 164 L C 2.255 179.320 176.870 0.326 0.000 1.074 164 L CA 1.632 56.641 54.840 0.281 0.000 0.746 164 L CB -0.376 41.843 42.059 0.266 0.000 0.896 164 L HN 0.175 nan 8.230 nan 0.000 0.435 165 K N 0.051 120.604 120.400 0.254 0.000 1.988 165 K HA -0.293 4.028 4.320 0.001 0.000 0.221 165 K C 1.932 178.673 176.600 0.234 0.000 1.053 165 K CA 2.138 58.576 56.287 0.251 0.000 0.959 165 K CB -0.490 32.117 32.500 0.178 0.000 0.728 165 K HN 0.455 nan 8.250 nan 0.000 0.447 166 A N 0.397 123.329 122.820 0.186 0.000 2.042 166 A HA -0.212 4.109 4.320 0.001 0.000 0.222 166 A C 2.020 179.733 177.584 0.214 0.000 1.167 166 A CA 1.785 53.918 52.037 0.160 0.000 0.649 166 A CB -0.902 18.183 19.000 0.141 0.000 0.809 166 A HN 0.631 nan 8.150 nan 0.000 0.457 167 F N -1.132 118.891 119.950 0.121 0.000 2.163 167 F HA -0.106 4.421 4.527 0.001 0.000 0.297 167 F C 2.046 177.940 175.800 0.156 0.000 1.094 167 F CA 1.276 59.346 58.000 0.117 0.000 1.290 167 F CB -0.684 38.370 39.000 0.090 0.000 1.017 167 F HN 0.433 nan 8.300 nan 0.000 0.483 168 Y N 0.953 121.205 120.300 -0.081 0.000 2.070 168 Y HA -0.319 4.231 4.550 0.001 0.000 0.280 168 Y C 2.318 178.110 175.900 -0.179 0.000 1.148 168 Y CA 1.572 59.556 58.100 -0.195 0.000 1.125 168 Y CB -0.320 38.111 38.460 -0.048 0.000 0.975 168 Y HN 0.041 nan 8.280 nan 0.000 0.492 169 D N 0.095 120.485 120.400 -0.016 0.000 2.097 169 D HA -0.220 4.420 4.640 0.001 0.000 0.195 169 D C 2.163 178.424 176.300 -0.066 0.000 0.989 169 D CA 1.333 55.254 54.000 -0.132 0.000 0.827 169 D CB -0.503 40.241 40.800 -0.094 0.000 0.966 169 D HN 0.365 nan 8.370 nan 0.000 0.456 170 R N 0.616 121.103 120.500 -0.020 0.000 2.096 170 R HA -0.134 4.206 4.340 0.001 0.000 0.235 170 R C 1.719 178.004 176.300 -0.026 0.000 1.127 170 R CA 1.179 57.279 56.100 -0.000 0.000 0.968 170 R CB 0.257 30.593 30.300 0.060 0.000 0.861 170 R HN 0.076 nan 8.270 nan 0.000 0.440 171 E N 0.063 120.190 120.200 -0.122 0.000 2.132 171 E HA 0.023 4.374 4.350 0.001 0.000 0.193 171 E C 0.461 177.001 176.600 -0.099 0.000 0.951 171 E CA 0.173 56.489 56.400 -0.139 0.000 0.843 171 E CB -0.256 29.217 29.700 -0.379 0.000 0.807 171 E HN 0.043 nan 8.360 nan 0.000 0.467 172 S N 1.765 117.410 115.700 -0.091 0.000 2.546 172 S HA -0.063 4.407 4.470 0.001 0.000 0.290 172 S C 1.376 175.968 174.600 -0.014 0.000 1.290 172 S CA 0.023 58.217 58.200 -0.010 0.000 1.069 172 S CB 0.577 63.864 63.200 0.145 0.000 0.846 172 S HN 0.237 nan 8.310 nan 0.000 0.495 173 E N 3.486 123.684 120.200 -0.004 0.000 2.114 173 E HA -0.242 4.108 4.350 0.001 0.000 0.199 173 E C 0.247 176.838 176.600 -0.014 0.000 1.008 173 E CA 1.323 57.721 56.400 -0.003 0.000 0.810 173 E CB -0.418 29.285 29.700 0.005 0.000 0.739 173 E HN 0.732 nan 8.360 nan 0.000 0.456 174 N N 1.232 119.921 118.700 -0.018 0.000 2.648 174 N HA 0.295 5.036 4.740 0.001 0.000 0.261 174 N C -2.893 172.569 175.510 -0.079 0.000 1.138 174 N CA -1.696 51.332 53.050 -0.038 0.000 0.804 174 N CB 1.396 39.872 38.487 -0.019 0.000 1.237 174 N HN -0.164 nan 8.380 nan 0.000 0.532 175 P HA 0.166 nan 4.420 nan 0.000 0.275 175 P C -0.126 176.996 177.300 -0.296 0.000 1.262 175 P CA -0.068 62.820 63.100 -0.354 0.000 0.834 175 P CB 0.655 32.156 31.700 -0.332 0.000 1.098 176 L N -2.677 118.291 121.223 -0.425 0.000 2.963 176 L HA 0.260 4.601 4.340 0.001 0.000 0.273 176 L C -0.382 176.349 176.870 -0.231 0.000 1.078 176 L CA -0.934 53.770 54.840 -0.227 0.000 0.970 176 L CB 0.998 42.987 42.059 -0.118 0.000 1.564 176 L HN 0.214 nan 8.230 nan 0.000 0.381 177 E N 1.982 122.093 120.200 -0.149 0.000 2.161 177 E HA 0.103 4.454 4.350 0.001 0.000 0.263 177 E C -0.786 175.641 176.600 -0.287 0.000 1.185 177 E CA 0.116 56.395 56.400 -0.203 0.000 0.938 177 E CB 0.476 30.037 29.700 -0.230 0.000 1.023 177 E HN 0.203 nan 8.360 nan 0.000 0.433 178 M N 5.520 125.012 119.600 -0.179 0.000 2.006 178 M HA 0.270 4.750 4.480 0.001 0.000 0.314 178 M C -1.619 174.756 176.300 0.125 0.000 0.926 178 M CA -0.307 54.972 55.300 -0.034 0.000 0.906 178 M CB 0.206 32.878 32.600 0.120 0.000 1.422 178 M HN 0.204 nan 8.290 nan 0.000 0.397 179 F N 2.202 122.163 119.950 0.019 0.000 2.456 179 F HA 0.200 4.727 4.527 0.001 0.000 0.358 179 F C 1.080 176.948 175.800 0.112 0.000 1.095 179 F CA -0.852 57.115 58.000 -0.055 0.000 1.216 179 F CB 0.576 39.385 39.000 -0.318 0.000 1.125 179 F HN 0.525 nan 8.300 nan 0.000 0.549 180 E N 2.500 122.872 120.200 0.287 0.000 2.481 180 E HA -0.043 4.307 4.350 0.001 0.000 0.263 180 E C 0.292 177.141 176.600 0.415 0.000 0.992 180 E CA -0.354 56.201 56.400 0.258 0.000 0.938 180 E CB 0.782 30.554 29.700 0.119 0.000 0.933 180 E HN 0.700 nan 8.360 nan 0.000 0.453 181 T N 0.109 114.890 114.554 0.378 0.000 2.589 181 T HA 0.174 4.525 4.350 0.001 0.000 0.342 181 T C 0.182 175.032 174.700 0.250 0.000 1.044 181 T CA -0.680 61.642 62.100 0.369 0.000 1.020 181 T CB 0.574 69.489 68.868 0.078 0.000 1.070 181 T HN 0.210 nan 8.240 nan 0.000 0.524 182 V N 1.721 121.728 119.914 0.155 0.000 2.686 182 V HA 0.464 4.584 4.120 0.001 0.000 0.306 182 V C -2.538 173.525 176.094 -0.052 0.000 1.065 182 V CA -1.992 60.347 62.300 0.066 0.000 0.894 182 V CB 1.651 33.589 31.823 0.193 0.000 1.004 182 V HN 0.805 nan 8.190 nan 0.000 0.424 183 P HA 0.150 nan 4.420 nan 0.000 0.272 183 P C 0.982 178.196 177.300 -0.144 0.000 1.230 183 P CA -0.030 62.934 63.100 -0.228 0.000 0.788 183 P CB 1.071 32.412 31.700 -0.598 0.000 0.949 184 V N 2.538 122.486 119.914 0.057 0.000 2.380 184 V HA -0.192 3.929 4.120 0.001 0.000 0.251 184 V C 1.325 177.522 176.094 0.172 0.000 1.063 184 V CA 2.176 64.559 62.300 0.139 0.000 1.055 184 V CB -0.963 30.984 31.823 0.207 0.000 0.657 184 V HN 0.827 nan 8.190 nan 0.000 0.455 185 W N -0.447 120.878 121.300 0.043 0.000 2.812 185 W HA 0.238 4.899 4.660 0.001 0.000 0.263 185 W C 2.034 178.575 176.519 0.036 0.000 1.284 185 W CA 0.145 57.510 57.345 0.033 0.000 1.430 185 W CB -0.428 29.049 29.460 0.028 0.000 1.088 185 W HN -0.113 nan 8.180 nan 0.000 0.623 186 R N 1.506 121.586 120.500 -0.699 0.000 2.193 186 R HA 0.143 4.483 4.340 0.001 0.000 0.213 186 R C 0.472 176.646 176.300 -0.210 0.000 1.055 186 R CA 0.344 56.106 56.100 -0.562 0.000 0.995 186 R CB -0.414 29.446 30.300 -0.733 0.000 0.893 186 R HN 0.261 nan 8.270 nan 0.000 0.459 187 R N 1.427 121.862 120.500 -0.109 0.000 2.537 187 R HA 0.077 4.418 4.340 0.001 0.000 0.280 187 R C 0.243 176.552 176.300 0.016 0.000 1.058 187 R CA 0.476 56.581 56.100 0.008 0.000 1.057 187 R CB 0.549 30.901 30.300 0.087 0.000 0.973 187 R HN 0.120 nan 8.270 nan 0.000 0.438 188 Q N 2.040 121.849 119.800 0.016 0.000 2.445 188 Q HA 0.394 4.734 4.340 0.001 0.000 0.281 188 Q C -2.275 173.769 176.000 0.073 0.000 1.101 188 Q CA -2.219 53.597 55.803 0.022 0.000 0.833 188 Q CB 1.618 30.347 28.738 -0.015 0.000 1.416 188 Q HN 0.346 nan 8.270 nan 0.000 0.451 189 P HA -0.128 nan 4.420 nan 0.000 0.273 189 P C -1.091 176.331 177.300 0.202 0.000 1.237 189 P CA -0.011 63.261 63.100 0.286 0.000 0.813 189 P CB 0.356 32.209 31.700 0.256 0.000 0.930 190 V N 1.038 121.131 119.914 0.299 0.000 2.483 190 V HA 0.446 4.567 4.120 0.001 0.000 0.295 190 V C -0.394 175.778 176.094 0.129 0.000 1.035 190 V CA -0.518 61.938 62.300 0.260 0.000 0.896 190 V CB 0.797 32.876 31.823 0.427 0.000 0.986 190 V HN 0.359 nan 8.190 nan 0.000 0.447 191 R N 4.758 125.308 120.500 0.083 0.000 2.451 191 R HA 0.767 5.108 4.340 0.001 0.000 0.307 191 R C -1.685 174.597 176.300 -0.030 0.000 0.965 191 R CA -0.475 55.659 56.100 0.055 0.000 0.865 191 R CB 2.175 32.561 30.300 0.143 0.000 1.174 191 R HN 0.560 nan 8.270 nan 0.000 0.455 192 V N 3.421 123.211 119.914 -0.206 0.000 3.007 192 V HA 0.425 4.545 4.120 0.001 0.000 0.311 192 V C -1.209 174.558 176.094 -0.544 0.000 1.120 192 V CA -1.004 61.115 62.300 -0.303 0.000 0.980 192 V CB 2.580 34.319 31.823 -0.140 0.000 1.033 192 V HN 0.499 nan 8.190 nan 0.000 0.429 193 L N 3.668 124.623 121.223 -0.446 0.000 2.280 193 L HA 0.739 5.080 4.340 0.001 0.000 0.287 193 L C 0.161 177.032 176.870 0.002 0.000 1.023 193 L CA 0.234 54.904 54.840 -0.283 0.000 0.819 193 L CB 1.640 43.671 42.059 -0.047 0.000 1.212 193 L HN 0.790 nan 8.230 nan 0.000 0.420 194 S N 5.883 121.586 115.700 0.003 0.000 2.498 194 S HA 0.672 5.143 4.470 0.001 0.000 0.324 194 S C -0.608 173.994 174.600 0.004 0.000 1.071 194 S CA -0.752 57.483 58.200 0.058 0.000 1.113 194 S CB 0.548 63.759 63.200 0.018 0.000 0.976 194 S HN 0.570 nan 8.310 nan 0.000 0.462 195 L N 4.090 125.248 121.223 -0.109 0.000 2.295 195 L HA 0.549 4.890 4.340 0.001 0.000 0.285 195 L C 0.230 176.837 176.870 -0.437 0.000 1.035 195 L CA -0.916 53.681 54.840 -0.404 0.000 0.806 195 L CB 0.206 41.778 42.059 -0.812 0.000 1.214 195 L HN 0.989 nan 8.230 nan 0.000 0.426 196 F N -0.550 119.479 119.950 0.131 0.000 2.705 196 F HA -0.266 4.262 4.527 0.001 0.000 0.413 196 F C 0.799 176.532 175.800 -0.111 0.000 0.588 196 F CA 0.400 58.422 58.000 0.037 0.000 1.187 196 F CB -0.720 38.226 39.000 -0.090 0.000 1.737 196 F HN 0.583 nan 8.300 nan 0.000 0.285 197 E N 0.204 120.353 120.200 -0.084 0.000 2.437 197 E HA 0.251 4.601 4.350 0.001 0.000 0.280 197 E C -1.618 174.642 176.600 -0.567 0.000 1.044 197 E CA -0.611 55.568 56.400 -0.369 0.000 0.826 197 E CB 2.010 31.374 29.700 -0.560 0.000 1.358 197 E HN -0.025 nan 8.360 nan 0.000 0.459 198 D N 1.507 121.556 120.400 -0.586 0.000 2.303 198 D HA 0.303 4.943 4.640 0.001 0.000 0.236 198 D C 0.275 176.466 176.300 -0.183 0.000 1.068 198 D CA -0.374 53.352 54.000 -0.457 0.000 0.830 198 D CB 0.659 41.209 40.800 -0.416 0.000 1.109 198 D HN 0.220 nan 8.370 nan 0.000 0.496 199 I N 3.854 124.366 120.570 -0.097 0.000 3.914 199 I HA 0.051 4.222 4.170 0.001 0.000 0.333 199 I C 1.824 177.936 176.117 -0.009 0.000 1.449 199 I CA -0.072 61.210 61.300 -0.029 0.000 1.135 199 I CB -0.590 37.408 38.000 -0.003 0.000 1.073 199 I HN 0.455 nan 8.210 nan 0.000 0.401 200 K N 2.395 122.776 120.400 -0.032 0.000 1.963 200 K HA -0.229 4.091 4.320 0.001 0.000 0.216 200 K C 2.100 178.698 176.600 -0.004 0.000 1.045 200 K CA 1.854 58.131 56.287 -0.017 0.000 0.954 200 K CB -0.043 32.444 32.500 -0.023 0.000 0.732 200 K HN 0.111 nan 8.250 nan 0.000 0.442 201 K N 0.422 120.817 120.400 -0.008 0.000 2.107 201 K HA -0.209 4.112 4.320 0.001 0.000 0.211 201 K C 1.497 178.101 176.600 0.007 0.000 1.049 201 K CA 2.154 58.440 56.287 -0.002 0.000 0.927 201 K CB -0.113 32.386 32.500 -0.001 0.000 0.714 201 K HN 0.308 nan 8.250 nan 0.000 0.452 202 E N 0.180 120.386 120.200 0.011 0.000 2.482 202 E HA -0.093 4.257 4.350 0.001 0.000 0.196 202 E C 1.463 178.099 176.600 0.060 0.000 1.047 202 E CA 0.624 57.033 56.400 0.015 0.000 0.869 202 E CB 0.141 29.835 29.700 -0.009 0.000 0.836 202 E HN 0.467 nan 8.360 nan 0.000 0.520 203 L N 0.073 121.344 121.223 0.081 0.000 3.016 203 L HA 0.161 4.502 4.340 0.001 0.000 0.267 203 L C 1.384 178.302 176.870 0.081 0.000 1.182 203 L CA 0.103 55.036 54.840 0.156 0.000 0.997 203 L CB 0.545 42.733 42.059 0.215 0.000 1.354 203 L HN -0.047 nan 8.230 nan 0.000 0.569 204 T N -0.941 113.625 114.554 0.021 0.000 2.901 204 T HA -0.083 4.268 4.350 0.001 0.000 0.252 204 T C 1.897 176.586 174.700 -0.019 0.000 1.035 204 T CA 1.541 63.628 62.100 -0.023 0.000 1.142 204 T CB 0.121 68.974 68.868 -0.026 0.000 0.869 204 T HN 0.379 nan 8.240 nan 0.000 0.442 205 S N 1.136 116.836 115.700 -0.001 0.000 2.558 205 S HA 0.203 4.674 4.470 0.001 0.000 0.217 205 S C 1.796 176.401 174.600 0.009 0.000 0.975 205 S CA -0.135 58.068 58.200 0.005 0.000 0.912 205 S CB -0.238 62.967 63.200 0.008 0.000 0.776 205 S HN 0.165 nan 8.310 nan 0.000 0.526 206 L N 1.222 122.442 121.223 -0.004 0.000 2.307 206 L HA 0.325 4.666 4.340 0.001 0.000 0.211 206 L C 1.690 178.472 176.870 -0.148 0.000 1.099 206 L CA 1.912 56.726 54.840 -0.043 0.000 0.816 206 L CB -0.698 41.366 42.059 0.009 0.000 0.952 206 L HN 0.625 nan 8.230 nan 0.000 0.455 207 G N -1.755 106.963 108.800 -0.136 0.000 2.367 207 G HA2 -0.255 3.705 3.960 0.001 0.000 0.181 207 G HA3 -0.255 3.705 3.960 0.001 0.000 0.181 207 G C 0.689 175.537 174.900 -0.087 0.000 1.000 207 G CA 0.080 45.122 45.100 -0.097 0.000 0.693 207 G HN 0.298 nan 8.290 nan 0.000 0.480 208 F N 0.230 120.292 119.950 0.187 0.000 2.776 208 F HA 0.613 5.141 4.527 0.001 0.000 0.300 208 F C 0.921 176.614 175.800 -0.178 0.000 1.116 208 F CA -0.119 57.998 58.000 0.195 0.000 1.375 208 F CB 0.379 39.464 39.000 0.142 0.000 1.109 208 F HN 0.057 nan 8.300 nan 0.000 0.585 209 L N 0.080 121.197 121.223 -0.177 0.000 2.333 209 L HA 0.344 4.685 4.340 0.001 0.000 0.269 209 L C -0.119 176.410 176.870 -0.569 0.000 1.010 209 L CA -1.054 53.538 54.840 -0.412 0.000 0.818 209 L CB 1.629 43.597 42.059 -0.152 0.000 1.306 209 L HN -0.105 nan 8.230 nan 0.000 0.430 210 E N 0.564 120.411 120.200 -0.587 0.000 2.313 210 E HA 0.173 4.523 4.350 0.001 0.000 0.276 210 E C 0.482 176.990 176.600 -0.154 0.000 1.031 210 E CA -0.147 56.047 56.400 -0.342 0.000 0.857 210 E CB 1.085 30.649 29.700 -0.225 0.000 1.040 210 E HN 0.613 nan 8.360 nan 0.000 0.408 211 S N 1.948 117.598 115.700 -0.083 0.000 2.387 211 S HA -0.117 4.354 4.470 0.001 0.000 0.230 211 S C 1.138 175.719 174.600 -0.032 0.000 1.035 211 S CA 0.991 59.164 58.200 -0.044 0.000 1.014 211 S CB -0.137 63.052 63.200 -0.019 0.000 0.836 211 S HN 0.673 nan 8.310 nan 0.000 0.466 212 G N 1.352 110.138 108.800 -0.024 0.000 2.367 212 G HA2 0.303 4.264 3.960 0.001 0.000 0.280 212 G HA3 0.303 4.264 3.960 0.001 0.000 0.280 212 G C -0.166 174.723 174.900 -0.018 0.000 1.175 212 G CA -0.292 44.801 45.100 -0.011 0.000 1.001 212 G HN 0.254 nan 8.290 nan 0.000 0.437 213 S N 2.170 117.862 115.700 -0.012 0.000 3.940 213 S HA 0.205 4.675 4.470 0.001 0.000 0.210 213 S C 0.467 175.067 174.600 -0.001 0.000 1.419 213 S CA -0.581 57.612 58.200 -0.011 0.000 0.912 213 S CB -0.115 63.080 63.200 -0.008 0.000 1.489 213 S HN 0.603 nan 8.310 nan 0.000 0.469 214 D N 2.322 122.723 120.400 0.002 0.000 2.840 214 D HA 0.158 4.799 4.640 0.001 0.000 0.277 214 D C -0.436 175.871 176.300 0.013 0.000 1.066 214 D CA 0.211 54.217 54.000 0.010 0.000 0.979 214 D CB -0.844 39.965 40.800 0.015 0.000 1.157 214 D HN 0.371 nan 8.370 nan 0.000 0.466 215 P HA 0.214 nan 4.420 nan 0.000 0.215 215 P C 0.388 177.697 177.300 0.014 0.000 1.160 215 P CA 1.069 64.183 63.100 0.022 0.000 0.869 215 P CB 0.084 31.803 31.700 0.031 0.000 0.782 216 G N 0.658 109.459 108.800 0.002 0.000 2.452 216 G HA2 -0.176 3.785 3.960 0.001 0.000 0.275 216 G HA3 -0.176 3.785 3.960 0.001 0.000 0.275 216 G C 0.379 175.276 174.900 -0.004 0.000 1.131 216 G CA -0.291 44.803 45.100 -0.009 0.000 1.031 216 G HN 0.209 nan 8.290 nan 0.000 0.511 217 Q N -1.502 118.298 119.800 -0.000 0.000 2.594 217 Q HA 0.125 4.465 4.340 0.001 0.000 0.219 217 Q C 0.960 176.945 176.000 -0.025 0.000 0.980 217 Q CA 0.720 56.534 55.803 0.018 0.000 0.962 217 Q CB 0.099 28.855 28.738 0.030 0.000 0.987 217 Q HN 0.776 nan 8.270 nan 0.000 0.553 218 L N -0.071 121.121 121.223 -0.051 0.000 2.370 218 L HA 0.606 4.946 4.340 0.001 0.000 0.266 218 L C -1.325 175.487 176.870 -0.097 0.000 1.002 218 L CA -0.762 54.018 54.840 -0.100 0.000 0.818 218 L CB 2.033 44.052 42.059 -0.066 0.000 1.325 218 L HN -0.346 nan 8.230 nan 0.000 0.418 219 K N 2.163 122.481 120.400 -0.137 0.000 2.463 219 K HA 0.374 4.695 4.320 0.001 0.000 0.255 219 K C -1.487 175.102 176.600 -0.018 0.000 0.942 219 K CA -0.296 55.925 56.287 -0.110 0.000 0.814 219 K CB 0.668 33.065 32.500 -0.172 0.000 1.122 219 K HN 0.748 nan 8.250 nan 0.000 0.425 220 H N 3.571 122.577 119.070 -0.106 0.000 2.594 220 H HA 0.553 5.110 4.556 0.001 0.000 0.304 220 H C -1.060 174.243 175.328 -0.042 0.000 1.068 220 H CA -0.838 55.177 56.048 -0.055 0.000 1.308 220 H CB 0.672 30.412 29.762 -0.036 0.000 1.409 220 H HN 0.214 nan 8.280 nan 0.000 0.460 221 V N 6.129 126.174 119.914 0.219 0.000 2.709 221 V HA 0.083 4.203 4.120 0.001 0.000 0.308 221 V C 0.446 176.715 176.094 0.291 0.000 1.062 221 V CA -0.668 61.708 62.300 0.127 0.000 0.901 221 V CB 1.648 33.550 31.823 0.131 0.000 1.003 221 V HN 0.665 nan 8.190 nan 0.000 0.425 222 V N 1.220 121.286 119.914 0.254 0.000 2.788 222 V HA 0.170 4.290 4.120 0.001 0.000 0.241 222 V C 0.408 176.792 176.094 0.484 0.000 1.083 222 V CA 0.744 63.283 62.300 0.399 0.000 1.103 222 V CB 0.188 32.139 31.823 0.213 0.000 0.800 222 V HN 0.926 nan 8.190 nan 0.000 0.476 223 D N 0.412 121.026 120.400 0.356 0.000 2.349 223 D HA 0.400 5.041 4.640 0.001 0.000 0.232 223 D C 0.375 176.894 176.300 0.364 0.000 1.071 223 D CA -0.010 54.213 54.000 0.371 0.000 0.832 223 D CB 1.825 42.776 40.800 0.252 0.000 1.086 223 D HN 0.096 nan 8.370 nan 0.000 0.504 224 V N 1.195 121.346 119.914 0.395 0.000 3.276 224 V HA 0.199 4.319 4.120 0.001 0.000 0.319 224 V C 1.555 177.761 176.094 0.187 0.000 1.427 224 V CA 0.113 62.588 62.300 0.292 0.000 1.102 224 V CB 0.147 32.149 31.823 0.298 0.000 1.020 224 V HN 0.538 nan 8.190 nan 0.000 0.456 225 T N 0.237 114.916 114.554 0.208 0.000 3.023 225 T HA -0.010 4.341 4.350 0.001 0.000 0.266 225 T C 0.880 175.665 174.700 0.141 0.000 1.093 225 T CA 1.451 63.647 62.100 0.159 0.000 1.129 225 T CB -0.302 68.719 68.868 0.255 0.000 0.899 225 T HN 0.610 nan 8.240 nan 0.000 0.491 226 D N 1.910 122.405 120.400 0.157 0.000 3.058 226 D HA 0.249 4.890 4.640 0.001 0.000 0.272 226 D C -0.538 175.839 176.300 0.128 0.000 1.350 226 D CA 0.087 54.163 54.000 0.126 0.000 0.863 226 D CB 0.700 41.573 40.800 0.121 0.000 1.064 226 D HN 0.259 nan 8.370 nan 0.000 0.488 227 T N -0.306 114.327 114.554 0.132 0.000 2.956 227 T HA 0.422 4.772 4.350 0.001 0.000 0.312 227 T C -0.116 174.647 174.700 0.106 0.000 1.151 227 T CA -0.490 61.681 62.100 0.118 0.000 1.024 227 T CB 2.719 71.711 68.868 0.207 0.000 1.140 227 T HN -0.221 nan 8.240 nan 0.000 0.473 228 V N 1.983 121.915 119.914 0.029 0.000 3.113 228 V HA 0.532 4.653 4.120 0.001 0.000 0.316 228 V C 1.343 177.380 176.094 -0.094 0.000 1.125 228 V CA -1.307 61.006 62.300 0.021 0.000 1.026 228 V CB 1.803 33.586 31.823 -0.067 0.000 1.080 228 V HN 0.879 nan 8.190 nan 0.000 0.444 229 R N 0.850 121.104 120.500 -0.409 0.000 2.447 229 R HA -0.137 4.204 4.340 0.001 0.000 0.215 229 R C 1.288 177.360 176.300 -0.381 0.000 1.130 229 R CA 1.742 57.426 56.100 -0.693 0.000 1.075 229 R CB -0.207 29.333 30.300 -1.267 0.000 0.824 229 R HN 0.565 nan 8.270 nan 0.000 0.484 230 K N -0.682 119.542 120.400 -0.294 0.000 2.380 230 K HA 0.093 4.414 4.320 0.001 0.000 0.198 230 K C 0.538 176.939 176.600 -0.332 0.000 1.070 230 K CA 0.660 56.786 56.287 -0.269 0.000 1.040 230 K CB 0.430 32.802 32.500 -0.214 0.000 0.903 230 K HN 0.181 nan 8.250 nan 0.000 0.549 231 D N -0.207 119.954 120.400 -0.399 0.000 2.202 231 D HA -0.058 4.582 4.640 0.001 0.000 0.214 231 D C 1.728 177.451 176.300 -0.961 0.000 0.967 231 D CA 0.908 54.470 54.000 -0.730 0.000 0.871 231 D CB 0.022 40.396 40.800 -0.709 0.000 1.020 231 D HN -0.051 nan 8.370 nan 0.000 0.474 232 V N 2.231 121.823 119.914 -0.537 0.000 2.217 232 V HA -0.314 3.807 4.120 0.001 0.000 0.248 232 V C 2.329 178.201 176.094 -0.369 0.000 1.050 232 V CA 2.073 64.212 62.300 -0.268 0.000 1.007 232 V CB -0.728 31.079 31.823 -0.027 0.000 0.639 232 V HN 0.208 nan 8.190 nan 0.000 0.452 233 E N -0.616 119.396 120.200 -0.313 0.000 2.233 233 E HA -0.330 4.021 4.350 0.001 0.000 0.210 233 E C 2.277 178.717 176.600 -0.268 0.000 1.046 233 E CA 1.656 57.885 56.400 -0.284 0.000 0.844 233 E CB -0.228 29.332 29.700 -0.233 0.000 0.741 233 E HN 0.587 nan 8.360 nan 0.000 0.465 234 E N 0.050 120.060 120.200 -0.317 0.000 2.072 234 E HA -0.144 4.207 4.350 0.001 0.000 0.190 234 E C 0.769 177.314 176.600 -0.092 0.000 0.982 234 E CA 0.597 56.849 56.400 -0.246 0.000 0.803 234 E CB 0.026 29.520 29.700 -0.343 0.000 0.755 234 E HN 0.372 nan 8.360 nan 0.000 0.453 235 W N 1.879 123.114 121.300 -0.108 0.000 3.227 235 W HA 0.262 4.923 4.660 0.001 0.000 0.353 235 W C 0.679 177.181 176.519 -0.028 0.000 1.155 235 W CA 0.799 58.132 57.345 -0.021 0.000 1.783 235 W CB -1.408 28.110 29.460 0.097 0.000 0.899 235 W HN 0.089 nan 8.180 nan 0.000 0.750 236 G N 2.330 111.190 108.800 0.100 0.000 2.977 236 G HA2 -0.201 3.760 3.960 0.001 0.000 0.686 236 G HA3 -0.201 3.760 3.960 0.001 0.000 0.686 236 G C -1.973 172.898 174.900 -0.049 0.000 1.088 236 G CA -1.346 43.807 45.100 0.087 0.000 0.845 236 G HN -0.041 nan 8.290 nan 0.000 0.565 237 P HA 0.253 nan 4.420 nan 0.000 0.269 237 P C -0.181 177.287 177.300 0.280 0.000 1.211 237 P CA 0.361 63.436 63.100 -0.041 0.000 0.781 237 P CB 0.380 32.079 31.700 -0.001 0.000 0.877 238 F N 0.204 120.236 119.950 0.137 0.000 2.532 238 F HA 0.190 4.717 4.527 0.001 0.000 0.321 238 F C 0.810 176.799 175.800 0.316 0.000 1.089 238 F CA -0.673 57.456 58.000 0.216 0.000 0.926 238 F CB 2.168 41.334 39.000 0.276 0.000 1.168 238 F HN 0.201 nan 8.300 nan 0.000 0.459 239 D N 1.135 121.789 120.400 0.423 0.000 2.431 239 D HA 0.120 4.761 4.640 0.001 0.000 0.227 239 D C -0.683 175.786 176.300 0.281 0.000 1.030 239 D CA 0.369 54.577 54.000 0.348 0.000 0.897 239 D CB 0.833 41.684 40.800 0.086 0.000 1.058 239 D HN 0.052 nan 8.370 nan 0.000 0.500 240 L N 1.042 122.376 121.223 0.184 0.000 2.410 240 L HA 0.515 4.856 4.340 0.001 0.000 0.270 240 L C -1.641 175.260 176.870 0.052 0.000 0.983 240 L CA -1.007 53.860 54.840 0.044 0.000 0.822 240 L CB 2.171 44.195 42.059 -0.059 0.000 1.285 240 L HN -0.238 nan 8.230 nan 0.000 0.409 241 V N 5.100 125.090 119.914 0.127 0.000 2.409 241 V HA 0.409 4.529 4.120 0.001 0.000 0.291 241 V C -1.328 175.060 176.094 0.489 0.000 1.020 241 V CA -0.603 61.896 62.300 0.331 0.000 0.848 241 V CB 1.275 33.357 31.823 0.431 0.000 0.990 241 V HN 0.657 nan 8.190 nan 0.000 0.430 242 Y N 3.411 123.867 120.300 0.260 0.000 2.338 242 Y HA 0.770 5.321 4.550 0.001 0.000 0.328 242 Y C 0.324 176.257 175.900 0.054 0.000 0.965 242 Y CA -0.679 57.541 58.100 0.199 0.000 1.208 242 Y CB 1.745 40.306 38.460 0.169 0.000 1.132 242 Y HN 0.728 nan 8.280 nan 0.000 0.469 243 G N 2.844 111.262 108.800 -0.637 0.000 2.524 243 G HA2 0.823 4.783 3.960 0.001 0.000 0.310 243 G HA3 0.823 4.783 3.960 0.001 0.000 0.310 243 G C -1.833 172.651 174.900 -0.694 0.000 1.279 243 G CA -0.578 44.029 45.100 -0.821 0.000 0.974 243 G HN 0.991 nan 8.290 nan 0.000 0.484 244 A N 0.813 123.391 122.820 -0.403 0.000 2.582 244 A HA 0.762 5.083 4.320 0.001 0.000 0.297 244 A C 0.081 177.581 177.584 -0.140 0.000 1.059 244 A CA -0.096 51.684 52.037 -0.428 0.000 0.705 244 A CB 0.706 19.534 19.000 -0.287 0.000 1.279 244 A HN 1.832 nan 8.150 nan 0.000 0.404 245 T N 1.142 115.625 114.554 -0.119 0.000 2.855 245 T HA 0.531 4.882 4.350 0.001 0.000 0.314 245 T C -1.959 172.686 174.700 -0.092 0.000 1.077 245 T CA -0.740 61.307 62.100 -0.088 0.000 1.095 245 T CB 0.310 69.197 68.868 0.032 0.000 0.987 245 T HN 0.511 nan 8.240 nan 0.000 0.546 246 P HA 0.294 nan 4.420 nan 0.000 0.274 246 P C -2.380 174.952 177.300 0.054 0.000 1.237 246 P CA -1.645 61.365 63.100 -0.151 0.000 0.793 246 P CB -0.256 31.294 31.700 -0.250 0.000 0.977 247 P HA 0.009 nan 4.420 nan 0.000 0.272 247 P C 1.342 178.670 177.300 0.046 0.000 1.248 247 P CA -0.212 62.989 63.100 0.168 0.000 0.799 247 P CB 0.587 32.415 31.700 0.214 0.000 0.997 248 L N -0.662 120.577 121.223 0.028 0.000 2.187 248 L HA -0.077 4.263 4.340 0.001 0.000 0.213 248 L C 1.717 178.595 176.870 0.014 0.000 1.100 248 L CA 1.680 56.525 54.840 0.008 0.000 0.765 248 L CB -2.146 39.918 42.059 0.009 0.000 0.904 248 L HN 0.529 nan 8.230 nan 0.000 0.437 249 G N -0.161 108.657 108.800 0.030 0.000 2.202 249 G HA2 -0.147 3.814 3.960 0.001 0.000 0.251 249 G HA3 -0.147 3.814 3.960 0.001 0.000 0.251 249 G C 0.167 175.094 174.900 0.045 0.000 1.219 249 G CA -0.026 45.103 45.100 0.048 0.000 0.943 249 G HN 0.299 nan 8.290 nan 0.000 0.465 250 H N 3.159 122.240 119.070 0.018 0.000 2.998 250 H HA 0.140 4.696 4.556 0.001 0.000 0.241 250 H C 1.388 176.723 175.328 0.011 0.000 1.852 250 H CA 0.168 56.225 56.048 0.015 0.000 1.419 250 H CB 0.075 29.843 29.762 0.010 0.000 1.793 250 H HN 0.458 nan 8.280 nan 0.000 0.553 251 T N 0.900 115.521 114.554 0.113 0.000 2.706 251 T HA -0.015 4.335 4.350 0.001 0.000 0.255 251 T C 0.953 175.714 174.700 0.103 0.000 1.048 251 T CA 0.699 62.852 62.100 0.088 0.000 1.153 251 T CB 0.091 68.987 68.868 0.046 0.000 0.865 251 T HN 0.450 nan 8.240 nan 0.000 0.414 252 C N 2.523 121.868 119.300 0.074 0.000 2.341 252 C HA 0.499 4.959 4.460 0.001 0.000 0.338 252 C C 0.144 175.182 174.990 0.080 0.000 1.257 252 C CA -1.257 57.797 59.018 0.060 0.000 1.883 252 C CB 0.764 28.523 27.740 0.031 0.000 2.334 252 C HN 0.431 nan 8.230 nan 0.000 0.524 253 D N 2.595 123.041 120.400 0.077 0.000 2.500 253 D HA 0.306 4.947 4.640 0.001 0.000 0.219 253 D C -0.094 176.169 176.300 -0.061 0.000 1.137 253 D CA 0.147 54.215 54.000 0.114 0.000 0.946 253 D CB 0.027 40.884 40.800 0.094 0.000 1.022 253 D HN 0.504 nan 8.370 nan 0.000 0.518 254 R N 3.144 123.573 120.500 -0.117 0.000 2.533 254 R HA 0.361 4.701 4.340 0.001 0.000 0.288 254 R C -2.358 173.824 176.300 -0.197 0.000 1.039 254 R CA -1.574 54.330 56.100 -0.327 0.000 0.909 254 R CB 1.761 31.656 30.300 -0.676 0.000 1.195 254 R HN 0.175 nan 8.270 nan 0.000 0.438 255 P HA -0.138 nan 4.420 nan 0.000 0.274 255 P C -2.028 175.317 177.300 0.075 0.000 1.209 255 P CA -0.583 62.505 63.100 -0.020 0.000 0.790 255 P CB 0.211 31.912 31.700 0.000 0.000 0.834 256 P HA -0.174 nan 4.420 nan 0.000 0.198 256 P C 1.213 178.623 177.300 0.184 0.000 1.043 256 P CA 1.555 64.744 63.100 0.150 0.000 0.892 256 P CB -0.542 31.212 31.700 0.090 0.000 0.701 257 S N -2.236 113.492 115.700 0.047 0.000 2.559 257 S HA -0.217 4.253 4.470 0.001 0.000 0.250 257 S C 1.745 176.254 174.600 -0.153 0.000 0.977 257 S CA 0.548 58.658 58.200 -0.149 0.000 0.958 257 S CB -1.788 61.167 63.200 -0.408 0.000 0.751 257 S HN 0.285 nan 8.310 nan 0.000 0.534 258 W N 1.925 123.138 121.300 -0.146 0.000 2.318 258 W HA -0.221 4.439 4.660 0.001 0.000 0.313 258 W C 1.616 178.043 176.519 -0.154 0.000 1.221 258 W CA 1.553 58.796 57.345 -0.170 0.000 1.266 258 W CB -0.641 28.617 29.460 -0.336 0.000 1.150 258 W HN 0.377 nan 8.180 nan 0.000 0.496 259 Y N -0.290 120.079 120.300 0.115 0.000 2.242 259 Y HA -0.227 4.323 4.550 0.001 0.000 0.291 259 Y C 2.613 178.571 175.900 0.097 0.000 1.137 259 Y CA 1.397 59.523 58.100 0.042 0.000 1.181 259 Y CB -1.075 37.424 38.460 0.065 0.000 0.989 259 Y HN -0.024 nan 8.280 nan 0.000 0.527 260 L N -0.644 120.600 121.223 0.033 0.000 1.963 260 L HA -0.315 4.026 4.340 0.001 0.000 0.220 260 L C 2.099 178.838 176.870 -0.219 0.000 1.076 260 L CA 1.926 56.550 54.840 -0.360 0.000 0.772 260 L CB -0.536 41.118 42.059 -0.676 0.000 0.892 260 L HN 0.248 nan 8.230 nan 0.000 0.435 261 F N -0.789 119.073 119.950 -0.146 0.000 2.060 261 F HA -0.251 4.277 4.527 0.001 0.000 0.295 261 F C 2.817 178.517 175.800 -0.167 0.000 1.120 261 F CA 0.593 58.494 58.000 -0.165 0.000 1.205 261 F CB -0.513 38.342 39.000 -0.242 0.000 0.986 261 F HN 0.155 nan 8.300 nan 0.000 0.470 262 Q N -0.139 119.600 119.800 -0.102 0.000 2.290 262 Q HA -0.262 4.078 4.340 0.001 0.000 0.211 262 Q C 1.885 177.929 176.000 0.072 0.000 0.991 262 Q CA 1.754 57.445 55.803 -0.187 0.000 0.893 262 Q CB -0.644 27.789 28.738 -0.507 0.000 0.913 262 Q HN 0.474 nan 8.270 nan 0.000 0.428 263 F N -0.362 119.606 119.950 0.032 0.000 2.148 263 F HA -0.060 4.467 4.527 0.001 0.000 0.285 263 F C 2.232 178.017 175.800 -0.024 0.000 1.092 263 F CA 1.459 59.461 58.000 0.003 0.000 1.218 263 F CB -0.821 38.184 39.000 0.008 0.000 1.059 263 F HN 0.182 nan 8.300 nan 0.000 0.490 264 H N 0.112 119.049 119.070 -0.221 0.000 2.550 264 H HA -0.159 4.397 4.556 0.001 0.000 0.292 264 H C 2.333 177.461 175.328 -0.333 0.000 1.072 264 H CA 0.689 56.553 56.048 -0.306 0.000 1.217 264 H CB 0.118 29.877 29.762 -0.004 0.000 1.355 264 H HN 0.265 nan 8.280 nan 0.000 0.586 265 R N -0.118 120.202 120.500 -0.301 0.000 2.023 265 R HA -0.032 4.308 4.340 0.001 0.000 0.217 265 R C 2.036 177.828 176.300 -0.845 0.000 1.255 265 R CA 0.653 56.414 56.100 -0.565 0.000 0.981 265 R CB -0.112 29.901 30.300 -0.478 0.000 0.853 265 R HN 0.206 nan 8.270 nan 0.000 0.463 266 L N 2.330 123.158 121.223 -0.658 0.000 2.551 266 L HA -0.166 4.175 4.340 0.001 0.000 0.230 266 L C 2.201 178.910 176.870 -0.268 0.000 1.163 266 L CA 0.541 55.115 54.840 -0.444 0.000 0.826 266 L CB -0.434 41.563 42.059 -0.104 0.000 0.943 266 L HN 0.362 nan 8.230 nan 0.000 0.452 267 L N -0.395 120.573 121.223 -0.426 0.000 1.976 267 L HA -0.242 4.098 4.340 0.001 0.000 0.209 267 L C 2.334 179.141 176.870 -0.106 0.000 1.071 267 L CA 1.942 56.574 54.840 -0.347 0.000 0.746 267 L CB -0.490 41.241 42.059 -0.547 0.000 0.890 267 L HN 0.302 nan 8.230 nan 0.000 0.432 268 Q N -0.859 118.867 119.800 -0.122 0.000 2.224 268 Q HA -0.148 4.192 4.340 0.001 0.000 0.203 268 Q C 1.861 177.921 176.000 0.099 0.000 0.970 268 Q CA 1.434 57.219 55.803 -0.030 0.000 0.865 268 Q CB -0.408 28.317 28.738 -0.022 0.000 0.922 268 Q HN 0.623 nan 8.270 nan 0.000 0.445 269 Y N -1.158 119.071 120.300 -0.117 0.000 2.680 269 Y HA -0.068 4.483 4.550 0.001 0.000 0.303 269 Y C 1.752 177.592 175.900 -0.100 0.000 1.166 269 Y CA -0.133 57.900 58.100 -0.112 0.000 1.344 269 Y CB 0.139 38.545 38.460 -0.090 0.000 1.002 269 Y HN 0.200 nan 8.280 nan 0.000 0.537 270 A N -0.179 122.696 122.820 0.092 0.000 1.970 270 A HA 0.111 4.431 4.320 0.001 0.000 0.204 270 A C 1.142 178.660 177.584 -0.110 0.000 1.325 270 A CA -0.350 51.739 52.037 0.086 0.000 0.767 270 A CB 0.043 19.249 19.000 0.343 0.000 0.949 270 A HN 0.051 nan 8.150 nan 0.000 0.481 271 R N 0.289 120.602 120.500 -0.312 0.000 2.629 271 R HA -0.062 4.279 4.340 0.001 0.000 0.277 271 R C -2.390 173.556 176.300 -0.590 0.000 0.977 271 R CA 0.225 55.833 56.100 -0.820 0.000 1.093 271 R CB -0.833 29.153 30.300 -0.524 0.000 0.925 271 R HN 0.245 nan 8.270 nan 0.000 0.434 272 P HA 0.135 nan 4.420 nan 0.000 0.282 272 P C -0.762 176.382 177.300 -0.260 0.000 1.249 272 P CA -0.386 62.495 63.100 -0.365 0.000 0.806 272 P CB 0.572 32.065 31.700 -0.346 0.000 0.984 273 K N 3.487 123.770 120.400 -0.195 0.000 2.402 273 K HA 0.095 4.416 4.320 0.001 0.000 0.279 273 K C -2.061 174.451 176.600 -0.147 0.000 1.082 273 K CA -1.150 55.042 56.287 -0.157 0.000 1.080 273 K CB -1.054 31.369 32.500 -0.130 0.000 0.899 273 K HN 0.378 nan 8.250 nan 0.000 0.469 274 P HA -0.204 nan 4.420 nan 0.000 0.242 274 P C 0.571 177.805 177.300 -0.110 0.000 1.069 274 P CA 1.569 64.597 63.100 -0.120 0.000 0.793 274 P CB -0.131 31.508 31.700 -0.102 0.000 0.679 275 G N 1.666 110.396 108.800 -0.116 0.000 2.141 275 G HA2 -0.249 3.711 3.960 0.001 0.000 0.242 275 G HA3 -0.249 3.711 3.960 0.001 0.000 0.242 275 G C 0.603 175.431 174.900 -0.121 0.000 0.982 275 G CA 0.074 45.110 45.100 -0.106 0.000 0.662 275 G HN 0.727 nan 8.290 nan 0.000 0.527 276 S N 0.230 115.842 115.700 -0.147 0.000 2.612 276 S HA 0.463 4.933 4.470 0.001 0.000 0.253 276 S C 0.530 175.026 174.600 -0.174 0.000 1.346 276 S CA 0.061 58.170 58.200 -0.151 0.000 0.976 276 S CB 0.373 63.472 63.200 -0.169 0.000 0.949 276 S HN 0.210 nan 8.310 nan 0.000 0.584 277 P HA 0.048 nan 4.420 nan 0.000 0.201 277 P C 0.905 178.029 177.300 -0.294 0.000 1.046 277 P CA 1.825 64.815 63.100 -0.184 0.000 0.942 277 P CB -0.122 31.485 31.700 -0.154 0.000 0.733 278 G N -4.778 103.782 108.800 -0.400 0.000 4.276 278 G HA2 -0.002 3.959 3.960 0.001 0.000 0.178 278 G HA3 -0.002 3.959 3.960 0.001 0.000 0.178 278 G C -2.362 171.985 174.900 -0.922 0.000 0.785 278 G CA -0.189 44.419 45.100 -0.820 0.000 0.853 278 G HN 0.176 nan 8.290 nan 0.000 0.428 279 P HA 0.260 nan 4.420 nan 0.000 0.240 279 P C -1.295 176.006 177.300 0.001 0.000 1.594 279 P CA 0.594 63.608 63.100 -0.144 0.000 1.184 279 P CB -0.684 30.963 31.700 -0.089 0.000 1.915 280 F N 3.521 123.286 119.950 -0.309 0.000 2.810 280 F HA 0.451 4.979 4.527 0.001 0.000 0.373 280 F C -1.273 174.574 175.800 0.078 0.000 1.174 280 F CA -1.185 56.801 58.000 -0.023 0.000 1.141 280 F CB 0.405 39.380 39.000 -0.042 0.000 1.420 280 F HN -0.108 nan 8.300 nan 0.000 0.518 281 F N 4.846 124.699 119.950 -0.161 0.000 2.507 281 F HA 0.653 5.181 4.527 0.001 0.000 0.327 281 F C -0.486 175.125 175.800 -0.315 0.000 1.068 281 F CA -0.806 57.060 58.000 -0.224 0.000 0.965 281 F CB 1.380 40.238 39.000 -0.237 0.000 1.192 281 F HN 0.387 nan 8.300 nan 0.000 0.476 282 W N 2.597 123.854 121.300 -0.072 0.000 3.118 282 W HA 0.751 5.411 4.660 0.001 0.000 0.328 282 W C -2.127 174.533 176.519 0.236 0.000 1.239 282 W CA -1.477 55.895 57.345 0.045 0.000 1.176 282 W CB 1.575 31.064 29.460 0.048 0.000 1.433 282 W HN 0.636 nan 8.180 nan 0.000 0.562 283 M N 3.381 123.241 119.600 0.434 0.000 2.365 283 M HA 0.537 5.017 4.480 0.001 0.000 0.287 283 M C -2.579 173.951 176.300 0.383 0.000 1.154 283 M CA -0.469 55.014 55.300 0.306 0.000 0.941 283 M CB 2.774 35.624 32.600 0.418 0.000 1.704 283 M HN 0.445 nan 8.290 nan 0.000 0.479 284 F N 5.331 125.410 119.950 0.216 0.000 2.477 284 F HA 0.736 5.263 4.527 0.001 0.000 0.335 284 F C -1.799 174.088 175.800 0.145 0.000 1.130 284 F CA -0.583 57.432 58.000 0.026 0.000 0.948 284 F CB 1.441 40.572 39.000 0.219 0.000 1.154 284 F HN 0.278 nan 8.300 nan 0.000 0.439 285 V N 5.775 125.258 119.914 -0.719 0.000 2.459 285 V HA 0.316 4.436 4.120 0.001 0.000 0.295 285 V C -0.485 175.234 176.094 -0.625 0.000 1.029 285 V CA -0.614 61.399 62.300 -0.479 0.000 0.874 285 V CB 1.602 33.354 31.823 -0.118 0.000 0.985 285 V HN 0.746 nan 8.190 nan 0.000 0.438 286 D N 2.984 123.145 120.400 -0.397 0.000 2.487 286 D HA 0.413 5.054 4.640 0.001 0.000 0.262 286 D C -0.109 176.103 176.300 -0.146 0.000 1.130 286 D CA -0.479 53.399 54.000 -0.202 0.000 1.038 286 D CB 1.500 42.295 40.800 -0.008 0.000 1.142 286 D HN 0.491 nan 8.370 nan 0.000 0.575 287 N N -0.006 118.655 118.700 -0.066 0.000 2.547 287 N HA 0.276 5.017 4.740 0.001 0.000 0.285 287 N C -0.846 174.634 175.510 -0.049 0.000 1.600 287 N CA -0.154 52.846 53.050 -0.083 0.000 0.872 287 N CB 0.239 38.710 38.487 -0.027 0.000 1.412 287 N HN 0.399 nan 8.380 nan 0.000 0.489 288 L N -0.597 120.607 121.223 -0.032 0.000 3.717 288 L HA -0.186 4.154 4.340 0.001 0.000 0.411 288 L C 0.123 177.005 176.870 0.020 0.000 1.233 288 L CA 0.104 54.940 54.840 -0.007 0.000 0.917 288 L CB -1.493 40.547 42.059 -0.030 0.000 1.902 288 L HN 0.171 nan 8.230 nan 0.000 0.894 289 V N 0.372 120.313 119.914 0.044 0.000 3.214 289 V HA 0.328 4.448 4.120 0.001 0.000 0.330 289 V C 0.248 176.389 176.094 0.078 0.000 1.403 289 V CA 0.073 62.406 62.300 0.054 0.000 1.143 289 V CB 0.626 32.479 31.823 0.050 0.000 1.098 289 V HN 0.244 nan 8.190 nan 0.000 0.463 290 L N 2.650 123.929 121.223 0.093 0.000 2.345 290 L HA 0.502 4.842 4.340 0.001 0.000 0.274 290 L C 0.157 177.080 176.870 0.089 0.000 0.999 290 L CA -0.266 54.636 54.840 0.104 0.000 0.849 290 L CB 1.647 43.801 42.059 0.159 0.000 1.220 290 L HN 0.449 nan 8.230 nan 0.000 0.422 291 N N 1.980 120.722 118.700 0.070 0.000 2.354 291 N HA 0.089 4.829 4.740 0.001 0.000 0.246 291 N C 0.791 176.344 175.510 0.071 0.000 1.285 291 N CA -0.514 52.574 53.050 0.063 0.000 0.925 291 N CB 0.397 38.915 38.487 0.052 0.000 1.174 291 N HN 0.542 nan 8.380 nan 0.000 0.478 292 K N -1.397 119.044 120.400 0.067 0.000 2.521 292 K HA -0.313 4.008 4.320 0.001 0.000 0.198 292 K C 1.028 177.671 176.600 0.072 0.000 1.046 292 K CA 1.678 58.008 56.287 0.073 0.000 0.931 292 K CB -0.137 32.401 32.500 0.062 0.000 0.764 292 K HN 0.782 nan 8.250 nan 0.000 0.487 293 E N 1.635 121.873 120.200 0.064 0.000 2.034 293 E HA -0.104 4.246 4.350 0.001 0.000 0.192 293 E C 1.017 177.648 176.600 0.052 0.000 0.963 293 E CA 0.854 57.289 56.400 0.058 0.000 0.831 293 E CB 0.095 29.826 29.700 0.051 0.000 0.801 293 E HN 0.313 nan 8.360 nan 0.000 0.463 294 D N 1.157 121.580 120.400 0.038 0.000 2.315 294 D HA -0.181 4.460 4.640 0.001 0.000 0.211 294 D C 1.816 178.126 176.300 0.015 0.000 0.977 294 D CA 0.602 54.601 54.000 -0.001 0.000 0.894 294 D CB -0.019 40.782 40.800 0.001 0.000 0.910 294 D HN 0.162 nan 8.370 nan 0.000 0.490 295 L N 0.503 121.774 121.223 0.081 0.000 1.961 295 L HA -0.144 4.196 4.340 0.001 0.000 0.209 295 L C 1.375 178.317 176.870 0.119 0.000 1.075 295 L CA 1.521 56.450 54.840 0.148 0.000 0.749 295 L CB -0.118 42.042 42.059 0.168 0.000 0.890 295 L HN -0.077 nan 8.230 nan 0.000 0.433 296 D N -0.399 120.066 120.400 0.108 0.000 2.389 296 D HA -0.143 4.497 4.640 0.001 0.000 0.221 296 D C 1.986 178.340 176.300 0.091 0.000 0.974 296 D CA 0.933 54.997 54.000 0.107 0.000 0.923 296 D CB 0.151 41.011 40.800 0.100 0.000 0.892 296 D HN 0.274 nan 8.370 nan 0.000 0.518 297 V N 1.486 121.422 119.914 0.036 0.000 2.261 297 V HA -0.142 3.978 4.120 0.001 0.000 0.235 297 V C 2.628 178.663 176.094 -0.099 0.000 1.044 297 V CA 1.493 63.782 62.300 -0.019 0.000 1.007 297 V CB -0.988 30.752 31.823 -0.138 0.000 0.647 297 V HN 0.147 nan 8.190 nan 0.000 0.462 298 A N -0.096 122.551 122.820 -0.287 0.000 2.054 298 A HA -0.275 4.045 4.320 0.001 0.000 0.223 298 A C 2.381 179.686 177.584 -0.465 0.000 1.169 298 A CA 2.549 54.281 52.037 -0.507 0.000 0.655 298 A CB -0.779 17.767 19.000 -0.756 0.000 0.812 298 A HN 0.540 nan 8.150 nan 0.000 0.462 299 S N -0.561 115.013 115.700 -0.210 0.000 2.336 299 S HA -0.123 4.347 4.470 0.001 0.000 0.214 299 S C 2.099 176.720 174.600 0.035 0.000 1.032 299 S CA 1.088 59.258 58.200 -0.050 0.000 1.001 299 S CB -0.350 62.925 63.200 0.125 0.000 0.953 299 S HN 0.577 nan 8.310 nan 0.000 0.430 300 R N 0.601 121.181 120.500 0.133 0.000 2.154 300 R HA -0.052 4.289 4.340 0.001 0.000 0.248 300 R C 1.814 178.212 176.300 0.163 0.000 1.155 300 R CA 1.212 57.408 56.100 0.161 0.000 0.979 300 R CB -1.126 29.302 30.300 0.214 0.000 0.869 300 R HN 0.411 nan 8.270 nan 0.000 0.452 301 F N -0.021 119.910 119.950 -0.032 0.000 2.270 301 F HA 0.075 4.602 4.527 0.001 0.000 0.295 301 F C 2.113 177.737 175.800 -0.294 0.000 1.087 301 F CA 0.638 58.640 58.000 0.005 0.000 1.365 301 F CB -0.283 38.819 39.000 0.171 0.000 1.056 301 F HN -0.126 nan 8.300 nan 0.000 0.506 302 L N -0.509 120.597 121.223 -0.195 0.000 2.592 302 L HA 0.060 4.401 4.340 0.001 0.000 0.227 302 L C 0.686 177.532 176.870 -0.040 0.000 1.127 302 L CA 0.396 55.067 54.840 -0.281 0.000 0.884 302 L CB -0.465 41.416 42.059 -0.296 0.000 1.065 302 L HN 0.194 nan 8.230 nan 0.000 0.457 303 E N -0.635 119.564 120.200 -0.002 0.000 3.760 303 E HA -0.291 4.060 4.350 0.001 0.000 0.317 303 E C 0.413 177.091 176.600 0.130 0.000 0.730 303 E CA 1.297 57.733 56.400 0.060 0.000 1.106 303 E CB -1.184 28.543 29.700 0.044 0.000 1.574 303 E HN 0.631 nan 8.360 nan 0.000 0.451 304 M N 0.224 119.949 119.600 0.209 0.000 2.364 304 M HA 0.458 4.938 4.480 0.001 0.000 0.334 304 M C -0.361 176.146 176.300 0.344 0.000 1.107 304 M CA -0.884 54.581 55.300 0.275 0.000 0.988 304 M CB 1.650 34.464 32.600 0.357 0.000 1.673 304 M HN -0.299 nan 8.290 nan 0.000 0.441 305 E N 2.933 123.274 120.200 0.235 0.000 2.383 305 E HA 0.227 4.577 4.350 0.001 0.000 0.257 305 E C -2.289 174.444 176.600 0.221 0.000 1.079 305 E CA -1.392 55.139 56.400 0.217 0.000 0.934 305 E CB -0.634 29.134 29.700 0.113 0.000 0.978 305 E HN 0.504 nan 8.360 nan 0.000 0.462 306 P HA -0.153 nan 4.420 nan 0.000 0.270 306 P C -0.637 176.520 177.300 -0.238 0.000 1.181 306 P CA 0.434 63.543 63.100 0.015 0.000 0.767 306 P CB 0.472 32.270 31.700 0.163 0.000 0.799 307 V N 1.287 120.923 119.914 -0.464 0.000 2.623 307 V HA 0.446 4.567 4.120 0.001 0.000 0.304 307 V C -0.048 175.891 176.094 -0.260 0.000 1.054 307 V CA -0.375 61.704 62.300 -0.370 0.000 0.882 307 V CB 2.111 33.732 31.823 -0.337 0.000 1.002 307 V HN 0.566 nan 8.190 nan 0.000 0.424 308 T N 6.000 120.557 114.554 0.004 0.000 2.807 308 T HA 0.746 5.096 4.350 0.001 0.000 0.279 308 T C -0.684 174.062 174.700 0.077 0.000 0.993 308 T CA -0.431 61.669 62.100 -0.001 0.000 0.970 308 T CB 0.689 69.564 68.868 0.012 0.000 0.950 308 T HN 0.662 nan 8.240 nan 0.000 0.441 309 I N 4.758 125.303 120.570 -0.041 0.000 2.389 309 I HA 0.691 4.861 4.170 0.001 0.000 0.288 309 I C -2.599 173.418 176.117 -0.167 0.000 0.999 309 I CA -2.682 58.584 61.300 -0.056 0.000 1.129 309 I CB 2.197 40.158 38.000 -0.065 0.000 1.288 309 I HN 0.376 nan 8.210 nan 0.000 0.444 310 P HA 0.232 nan 4.420 nan 0.000 0.302 310 P C -0.971 176.146 177.300 -0.305 0.000 1.307 310 P CA -0.027 62.899 63.100 -0.289 0.000 0.754 310 P CB 0.975 32.462 31.700 -0.354 0.000 1.298 311 D N -0.273 119.965 120.400 -0.269 0.000 2.968 311 D HA 0.175 4.816 4.640 0.001 0.000 0.301 311 D C -0.185 176.000 176.300 -0.192 0.000 1.226 311 D CA -0.493 53.370 54.000 -0.228 0.000 0.746 311 D CB -0.397 40.287 40.800 -0.192 0.000 1.278 311 D HN 0.120 nan 8.370 nan 0.000 0.544 312 V N 0.334 120.103 119.914 -0.241 0.000 3.432 312 V HA 0.394 4.514 4.120 0.001 0.000 0.304 312 V C 0.097 176.170 176.094 -0.036 0.000 1.107 312 V CA 0.032 62.232 62.300 -0.166 0.000 1.153 312 V CB 1.141 32.814 31.823 -0.250 0.000 1.072 312 V HN 0.513 nan 8.190 nan 0.000 0.485 313 H N 0.837 119.832 119.070 -0.126 0.000 2.695 313 H HA 0.479 5.036 4.556 0.001 0.000 0.222 313 H C 0.385 175.671 175.328 -0.070 0.000 1.412 313 H CA -0.136 55.857 56.048 -0.092 0.000 1.347 313 H CB -0.099 29.614 29.762 -0.081 0.000 1.858 313 H HN 1.625 nan 8.280 nan 0.000 0.519 314 G N 0.820 109.507 108.800 -0.189 0.000 2.368 314 G HA2 0.088 4.048 3.960 0.001 0.000 0.290 314 G HA3 0.088 4.048 3.960 0.001 0.000 0.290 314 G C 1.190 176.016 174.900 -0.123 0.000 1.098 314 G CA 0.887 45.874 45.100 -0.188 0.000 1.073 314 G HN 1.693 nan 8.290 nan 0.000 0.511 315 G N -1.719 107.033 108.800 -0.080 0.000 2.299 315 G HA2 -0.101 3.860 3.960 0.001 0.000 0.237 315 G HA3 -0.101 3.860 3.960 0.001 0.000 0.237 315 G C 0.914 175.786 174.900 -0.046 0.000 1.027 315 G CA 0.724 45.792 45.100 -0.052 0.000 0.619 315 G HN 1.889 nan 8.290 nan 0.000 0.513 316 S N 0.063 115.738 115.700 -0.042 0.000 2.645 316 S HA 0.732 5.203 4.470 0.001 0.000 0.266 316 S C -0.284 174.302 174.600 -0.023 0.000 1.258 316 S CA -0.091 58.101 58.200 -0.014 0.000 0.990 316 S CB 2.016 65.236 63.200 0.033 0.000 0.967 316 S HN 1.002 nan 8.310 nan 0.000 0.556 317 L N 1.458 122.663 121.223 -0.029 0.000 2.365 317 L HA 0.511 4.852 4.340 0.001 0.000 0.273 317 L C 0.127 176.962 176.870 -0.058 0.000 1.000 317 L CA 0.019 54.824 54.840 -0.058 0.000 0.819 317 L CB 1.532 43.552 42.059 -0.064 0.000 1.284 317 L HN 0.568 nan 8.230 nan 0.000 0.418 318 Q N 1.961 121.710 119.800 -0.085 0.000 2.243 318 Q HA 0.373 4.713 4.340 0.001 0.000 0.167 318 Q C -0.180 175.755 176.000 -0.109 0.000 0.619 318 Q CA 0.025 55.770 55.803 -0.096 0.000 0.745 318 Q CB 0.259 28.926 28.738 -0.118 0.000 1.071 318 Q HN 0.657 nan 8.270 nan 0.000 0.502 319 N N 0.090 118.709 118.700 -0.135 0.000 2.593 319 N HA 0.683 5.423 4.740 0.001 0.000 0.304 319 N C -0.773 174.638 175.510 -0.164 0.000 1.296 319 N CA 0.079 53.038 53.050 -0.152 0.000 0.950 319 N CB 1.478 39.857 38.487 -0.180 0.000 1.127 319 N HN 0.313 nan 8.380 nan 0.000 0.587 320 A N -0.678 122.030 122.820 -0.187 0.000 2.569 320 A HA 0.557 4.877 4.320 0.001 0.000 0.292 320 A C -1.832 175.618 177.584 -0.224 0.000 1.032 320 A CA -0.470 51.454 52.037 -0.188 0.000 0.669 320 A CB 0.751 19.665 19.000 -0.144 0.000 1.290 320 A HN 0.257 nan 8.150 nan 0.000 0.422 321 V N 1.407 121.188 119.914 -0.223 0.000 2.817 321 V HA 0.485 4.606 4.120 0.001 0.000 0.303 321 V C -0.804 175.142 176.094 -0.246 0.000 1.151 321 V CA -0.646 61.497 62.300 -0.262 0.000 0.929 321 V CB 2.180 33.806 31.823 -0.327 0.000 1.030 321 V HN 0.892 nan 8.190 nan 0.000 0.427 322 R N 3.287 123.619 120.500 -0.280 0.000 2.229 322 R HA 0.768 5.108 4.340 0.001 0.000 0.332 322 R C -1.109 174.865 176.300 -0.543 0.000 0.989 322 R CA -0.455 55.404 56.100 -0.401 0.000 0.842 322 R CB 1.922 31.996 30.300 -0.377 0.000 1.119 322 R HN 0.456 nan 8.270 nan 0.000 0.456 323 V N 2.633 122.195 119.914 -0.587 0.000 2.960 323 V HA 0.513 4.633 4.120 0.001 0.000 0.315 323 V C -0.595 175.154 176.094 -0.575 0.000 1.087 323 V CA -0.870 61.160 62.300 -0.450 0.000 0.982 323 V CB 2.609 34.298 31.823 -0.223 0.000 1.039 323 V HN 0.669 nan 8.190 nan 0.000 0.437 324 W N 1.618 122.956 121.300 0.064 0.000 2.900 324 W HA 0.731 5.391 4.660 0.001 0.000 0.336 324 W C -0.142 176.298 176.519 -0.130 0.000 1.064 324 W CA -0.283 57.127 57.345 0.109 0.000 1.237 324 W CB 1.921 31.614 29.460 0.388 0.000 1.391 324 W HN 0.658 nan 8.180 nan 0.000 0.468 325 S N 1.544 117.102 115.700 -0.235 0.000 2.633 325 S HA 0.109 4.580 4.470 0.001 0.000 0.271 325 S C 0.353 174.580 174.600 -0.622 0.000 1.112 325 S CA -0.406 57.289 58.200 -0.842 0.000 0.828 325 S CB 0.463 63.414 63.200 -0.415 0.000 1.086 325 S HN 0.524 nan 8.310 nan 0.000 0.461 326 N N 1.973 120.214 118.700 -0.765 0.000 2.402 326 N HA 0.091 4.831 4.740 0.001 0.000 0.174 326 N C 0.671 176.079 175.510 -0.170 0.000 1.027 326 N CA 0.349 53.218 53.050 -0.302 0.000 0.891 326 N CB -0.940 37.441 38.487 -0.177 0.000 1.016 326 N HN 0.731 nan 8.380 nan 0.000 0.439 327 I N 2.818 123.303 120.570 -0.142 0.000 3.114 327 I HA -0.104 4.066 4.170 0.001 0.000 0.320 327 I C -1.842 174.154 176.117 -0.201 0.000 1.230 327 I CA -0.800 60.376 61.300 -0.207 0.000 1.440 327 I CB -0.497 37.301 38.000 -0.336 0.000 1.334 327 I HN -0.021 nan 8.210 nan 0.000 0.532 328 P HA -0.054 nan 4.420 nan 0.000 0.271 328 P C 0.023 177.227 177.300 -0.160 0.000 1.228 328 P CA 0.224 63.180 63.100 -0.240 0.000 0.797 328 P CB 0.402 31.776 31.700 -0.544 0.000 0.914 329 A N 0.426 123.191 122.820 -0.092 0.000 2.578 329 A HA -0.193 4.128 4.320 0.001 0.000 0.298 329 A C 0.454 178.009 177.584 -0.049 0.000 1.472 329 A CA 0.858 52.875 52.037 -0.033 0.000 0.734 329 A CB -2.477 16.538 19.000 0.025 0.000 1.091 329 A HN 0.517 nan 8.150 nan 0.000 0.426 330 I N -2.443 118.091 120.570 -0.060 0.000 4.665 330 I HA 0.348 4.519 4.170 0.001 0.000 0.360 330 I C 1.182 177.254 176.117 -0.074 0.000 1.259 330 I CA 0.425 61.684 61.300 -0.068 0.000 1.301 330 I CB 0.468 38.410 38.000 -0.096 0.000 1.746 330 I HN 0.257 nan 8.210 nan 0.000 0.598 331 R N -1.011 119.453 120.500 -0.061 0.000 2.446 331 R HA 0.365 4.706 4.340 0.001 0.000 0.254 331 R C 1.707 177.985 176.300 -0.038 0.000 0.918 331 R CA 0.767 56.824 56.100 -0.072 0.000 1.069 331 R CB 0.345 30.613 30.300 -0.054 0.000 1.194 331 R HN 0.164 nan 8.270 nan 0.000 0.534 332 S N 0.112 115.797 115.700 -0.025 0.000 2.427 332 S HA 0.104 4.574 4.470 0.001 0.000 0.224 332 S C 0.974 175.560 174.600 -0.024 0.000 1.047 332 S CA 0.260 58.441 58.200 -0.031 0.000 0.953 332 S CB 0.152 63.325 63.200 -0.044 0.000 0.824 332 S HN 0.154 nan 8.310 nan 0.000 0.502 333 R N 2.002 122.515 120.500 0.022 0.000 4.980 333 R HA 0.106 4.446 4.340 0.001 0.000 0.190 333 R C -0.613 175.812 176.300 0.208 0.000 2.095 333 R CA 0.137 56.295 56.100 0.096 0.000 1.717 333 R CB -0.542 29.842 30.300 0.140 0.000 1.337 333 R HN 0.301 nan 8.270 nan 0.000 0.820 334 H N -0.662 118.375 119.070 -0.055 0.000 2.466 334 H HA 0.179 4.736 4.556 0.001 0.000 0.338 334 H C -1.211 174.047 175.328 -0.116 0.000 1.091 334 H CA -1.198 54.861 56.048 0.019 0.000 1.207 334 H CB 0.537 30.289 29.762 -0.017 0.000 1.466 334 H HN 0.105 nan 8.280 nan 0.000 0.493 335 W N 4.341 125.456 121.300 -0.308 0.000 2.309 335 W HA 0.472 5.132 4.660 0.001 0.000 0.332 335 W C 0.549 176.854 176.519 -0.357 0.000 0.962 335 W CA -0.762 56.433 57.345 -0.250 0.000 1.497 335 W CB 0.499 29.866 29.460 -0.154 0.000 1.308 335 W HN 0.837 nan 8.180 nan 0.000 0.384 336 A N 2.229 124.934 122.820 -0.192 0.000 2.247 336 A HA -0.016 4.304 4.320 0.001 0.000 0.205 336 A C 1.586 179.143 177.584 -0.044 0.000 1.261 336 A CA 0.725 52.675 52.037 -0.145 0.000 0.853 336 A CB -0.225 18.724 19.000 -0.085 0.000 0.793 336 A HN 0.584 nan 8.150 nan 0.000 0.487 337 L N -0.811 120.423 121.223 0.018 0.000 2.554 337 L HA 0.207 4.547 4.340 0.001 0.000 0.225 337 L C 0.291 177.178 176.870 0.029 0.000 1.104 337 L CA 0.808 55.678 54.840 0.050 0.000 0.866 337 L CB 0.527 42.664 42.059 0.130 0.000 1.047 337 L HN 0.097 nan 8.230 nan 0.000 0.468 338 V N 0.386 120.305 119.914 0.007 0.000 2.334 338 V HA 0.320 4.441 4.120 0.001 0.000 0.267 338 V C 0.578 176.660 176.094 -0.020 0.000 1.040 338 V CA -0.349 61.941 62.300 -0.017 0.000 0.866 338 V CB 0.415 32.215 31.823 -0.038 0.000 1.019 338 V HN 0.220 nan 8.190 nan 0.000 0.468 339 S N 2.797 118.491 115.700 -0.010 0.000 2.586 339 S HA 0.271 4.742 4.470 0.001 0.000 0.274 339 S C 1.159 175.760 174.600 0.000 0.000 1.281 339 S CA -0.496 57.703 58.200 -0.001 0.000 1.035 339 S CB 1.336 64.537 63.200 0.002 0.000 0.962 339 S HN 0.824 nan 8.310 nan 0.000 0.512 340 E N 2.434 122.640 120.200 0.011 0.000 2.065 340 E HA -0.246 4.105 4.350 0.001 0.000 0.201 340 E C 1.904 178.510 176.600 0.009 0.000 1.016 340 E CA 2.354 58.763 56.400 0.015 0.000 0.818 340 E CB -0.217 29.499 29.700 0.027 0.000 0.749 340 E HN 0.907 nan 8.360 nan 0.000 0.453 341 E N 0.735 120.940 120.200 0.010 0.000 2.219 341 E HA -0.250 4.101 4.350 0.001 0.000 0.198 341 E C 1.666 178.266 176.600 0.000 0.000 0.998 341 E CA 1.348 57.752 56.400 0.007 0.000 0.818 341 E CB -0.293 29.412 29.700 0.008 0.000 0.741 341 E HN 0.361 nan 8.360 nan 0.000 0.477 342 E N 0.326 120.523 120.200 -0.005 0.000 2.274 342 E HA -0.074 4.277 4.350 0.001 0.000 0.194 342 E C 1.905 178.493 176.600 -0.019 0.000 0.996 342 E CA 0.289 56.681 56.400 -0.013 0.000 0.840 342 E CB 0.115 29.804 29.700 -0.018 0.000 0.772 342 E HN 0.285 nan 8.360 nan 0.000 0.491 343 L N 0.415 121.628 121.223 -0.017 0.000 2.156 343 L HA -0.048 4.293 4.340 0.001 0.000 0.208 343 L C 2.161 179.022 176.870 -0.015 0.000 1.095 343 L CA 1.296 56.123 54.840 -0.023 0.000 0.770 343 L CB -0.828 41.220 42.059 -0.018 0.000 0.914 343 L HN 0.033 nan 8.230 nan 0.000 0.439 344 S N -0.074 115.623 115.700 -0.005 0.000 2.481 344 S HA 0.021 4.492 4.470 0.001 0.000 0.231 344 S C 1.891 176.489 174.600 -0.004 0.000 0.996 344 S CA 0.451 58.651 58.200 0.000 0.000 0.942 344 S CB -0.006 63.198 63.200 0.008 0.000 0.768 344 S HN 0.349 nan 8.310 nan 0.000 0.520 345 L N 0.590 121.808 121.223 -0.008 0.000 2.552 345 L HA 0.124 4.465 4.340 0.001 0.000 0.227 345 L C 1.883 178.743 176.870 -0.016 0.000 1.146 345 L CA 0.304 55.138 54.840 -0.010 0.000 0.858 345 L CB -0.186 41.867 42.059 -0.011 0.000 0.969 345 L HN 0.280 nan 8.230 nan 0.000 0.451 346 L N -0.315 120.895 121.223 -0.021 0.000 2.388 346 L HA 0.259 4.600 4.340 0.001 0.000 0.209 346 L C 2.402 179.258 176.870 -0.024 0.000 1.061 346 L CA 1.246 56.068 54.840 -0.029 0.000 0.834 346 L CB -0.296 41.736 42.059 -0.043 0.000 1.029 346 L HN 0.017 nan 8.230 nan 0.000 0.473 347 A N -0.753 122.056 122.820 -0.018 0.000 2.209 347 A HA -0.137 4.183 4.320 0.001 0.000 0.212 347 A C 2.076 179.659 177.584 -0.002 0.000 1.158 347 A CA 1.312 53.343 52.037 -0.010 0.000 0.742 347 A CB -0.438 18.561 19.000 -0.002 0.000 0.790 347 A HN 0.592 nan 8.150 nan 0.000 0.472 348 Q N 0.821 120.619 119.800 -0.004 0.000 2.089 348 Q HA -0.035 4.306 4.340 0.001 0.000 0.195 348 Q C 1.307 177.306 176.000 -0.002 0.000 0.963 348 Q CA 1.780 57.583 55.803 -0.000 0.000 0.834 348 Q CB -0.166 28.571 28.738 -0.001 0.000 0.906 348 Q HN 0.611 nan 8.270 nan 0.000 0.452 349 N N -0.119 118.576 118.700 -0.008 0.000 2.467 349 N HA -0.033 4.707 4.740 0.001 0.000 0.184 349 N C 0.988 176.491 175.510 -0.011 0.000 1.106 349 N CA 0.334 53.377 53.050 -0.010 0.000 0.892 349 N CB 0.224 38.702 38.487 -0.015 0.000 0.969 349 N HN 0.169 nan 8.380 nan 0.000 0.454 350 K N 1.303 121.696 120.400 -0.011 0.000 2.044 350 K HA 0.064 4.384 4.320 0.001 0.000 0.204 350 K C 1.677 178.278 176.600 0.002 0.000 1.045 350 K CA 0.768 57.049 56.287 -0.011 0.000 0.951 350 K CB -0.089 32.402 32.500 -0.015 0.000 0.738 350 K HN 0.293 nan 8.250 nan 0.000 0.443 351 Q N 0.276 120.082 119.800 0.009 0.000 2.472 351 Q HA 0.048 4.388 4.340 0.001 0.000 0.208 351 Q C 0.840 176.850 176.000 0.016 0.000 0.958 351 Q CA 0.463 56.279 55.803 0.021 0.000 0.932 351 Q CB 0.299 29.055 28.738 0.029 0.000 1.007 351 Q HN 0.053 nan 8.270 nan 0.000 0.508 352 S N 0.241 115.946 115.700 0.008 0.000 2.572 352 S HA 0.098 4.568 4.470 0.001 0.000 0.228 352 S C 0.093 174.695 174.600 0.002 0.000 0.963 352 S CA -0.288 57.915 58.200 0.005 0.000 0.939 352 S CB 0.402 63.603 63.200 0.002 0.000 0.804 352 S HN 0.307 nan 8.310 nan 0.000 0.480 353 S N 0.210 115.912 115.700 0.003 0.000 2.627 353 S HA 0.605 5.076 4.470 0.001 0.000 0.283 353 S C -0.998 173.604 174.600 0.004 0.000 1.127 353 S CA -1.072 57.128 58.200 -0.000 0.000 0.863 353 S CB 1.111 64.308 63.200 -0.006 0.000 1.121 353 S HN -0.112 nan 8.310 nan 0.000 0.479 354 K N 1.210 121.611 120.400 0.002 0.000 2.715 354 K HA 0.352 4.672 4.320 0.001 0.000 0.248 354 K C -0.574 176.029 176.600 0.005 0.000 1.276 354 K CA -0.124 56.166 56.287 0.005 0.000 1.209 354 K CB -1.022 31.480 32.500 0.003 0.000 1.509 354 K HN 0.507 nan 8.250 nan 0.000 0.261 355 L N 0.795 122.022 121.223 0.007 0.000 2.305 355 L HA 0.415 4.755 4.340 0.001 0.000 0.281 355 L C 0.289 177.168 176.870 0.015 0.000 1.085 355 L CA -0.026 54.817 54.840 0.006 0.000 0.813 355 L CB 0.599 42.659 42.059 0.001 0.000 1.157 355 L HN 0.480 nan 8.230 nan 0.000 0.436 356 A N 4.108 126.936 122.820 0.014 0.000 2.296 356 A HA 0.645 4.966 4.320 0.001 0.000 0.276 356 A C 0.817 178.422 177.584 0.034 0.000 1.356 356 A CA 0.283 52.333 52.037 0.023 0.000 0.825 356 A CB -0.212 18.799 19.000 0.018 0.000 1.308 356 A HN 1.093 nan 8.150 nan 0.000 0.515 357 A N -1.060 121.786 122.820 0.044 0.000 2.460 357 A HA 0.288 4.609 4.320 0.001 0.000 0.258 357 A C 0.808 178.450 177.584 0.098 0.000 1.300 357 A CA -0.091 51.986 52.037 0.066 0.000 0.913 357 A CB -0.491 18.541 19.000 0.053 0.000 1.031 357 A HN 0.642 nan 8.150 nan 0.000 0.512 358 K N 0.123 120.566 120.400 0.073 0.000 2.511 358 K HA -0.026 4.295 4.320 0.001 0.000 0.280 358 K C -0.996 175.691 176.600 0.145 0.000 1.008 358 K CA -0.021 56.317 56.287 0.085 0.000 1.050 358 K CB 0.202 32.722 32.500 0.034 0.000 0.889 358 K HN 0.410 nan 8.250 nan 0.000 0.484 359 W N 6.190 127.462 121.300 -0.047 0.000 2.390 359 W HA 0.291 4.952 4.660 0.001 0.000 0.312 359 W C -2.042 174.435 176.519 -0.069 0.000 1.123 359 W CA -2.374 54.936 57.345 -0.058 0.000 1.202 359 W CB 1.085 30.514 29.460 -0.051 0.000 1.251 359 W HN 0.528 nan 8.180 nan 0.000 0.511 360 P HA -0.019 nan 4.420 nan 0.000 0.254 360 P C 0.544 177.551 177.300 -0.488 0.000 1.467 360 P CA 0.823 63.637 63.100 -0.476 0.000 1.281 360 P CB 0.219 31.574 31.700 -0.576 0.000 1.754 361 T N 1.254 115.674 114.554 -0.224 0.000 2.684 361 T HA -0.091 4.259 4.350 0.001 0.000 0.253 361 T C 1.400 175.982 174.700 -0.197 0.000 1.057 361 T CA 0.959 62.970 62.100 -0.149 0.000 1.162 361 T CB -0.224 68.624 68.868 -0.032 0.000 0.868 361 T HN 0.180 nan 8.240 nan 0.000 0.409 362 K N 1.609 121.917 120.400 -0.153 0.000 2.588 362 K HA 0.038 4.359 4.320 0.001 0.000 0.196 362 K C 1.476 177.976 176.600 -0.166 0.000 1.044 362 K CA 0.390 56.593 56.287 -0.139 0.000 0.934 362 K CB -0.480 31.956 32.500 -0.107 0.000 0.773 362 K HN 0.231 nan 8.250 nan 0.000 0.489 363 L N -0.962 120.128 121.223 -0.222 0.000 2.298 363 L HA 0.036 4.377 4.340 0.001 0.000 0.209 363 L C 1.810 178.547 176.870 -0.223 0.000 1.084 363 L CA 1.087 55.790 54.840 -0.228 0.000 0.816 363 L CB -0.521 41.368 42.059 -0.284 0.000 0.967 363 L HN 0.148 nan 8.230 nan 0.000 0.460 364 V N -4.500 115.249 119.914 -0.276 0.000 3.484 364 V HA 0.137 4.258 4.120 0.001 0.000 0.252 364 V C 2.186 178.034 176.094 -0.408 0.000 1.282 364 V CA 0.178 62.288 62.300 -0.317 0.000 1.104 364 V CB -0.046 31.561 31.823 -0.360 0.000 0.868 364 V HN 0.161 nan 8.190 nan 0.000 0.457 365 K N 1.378 121.545 120.400 -0.388 0.000 2.228 365 K HA -0.206 4.115 4.320 0.001 0.000 0.205 365 K C 1.339 177.829 176.600 -0.182 0.000 1.045 365 K CA 2.020 58.100 56.287 -0.345 0.000 0.931 365 K CB -0.227 32.155 32.500 -0.196 0.000 0.727 365 K HN 0.588 nan 8.250 nan 0.000 0.458 366 N N -0.112 118.504 118.700 -0.140 0.000 2.370 366 N HA -0.043 4.697 4.740 0.001 0.000 0.198 366 N C 0.806 176.283 175.510 -0.056 0.000 1.156 366 N CA 0.292 53.306 53.050 -0.060 0.000 0.839 366 N CB 0.202 38.670 38.487 -0.033 0.000 0.989 366 N HN 0.234 nan 8.380 nan 0.000 0.468 367 C N -1.137 118.106 119.300 -0.095 0.000 2.964 367 C HA 0.298 4.759 4.460 0.001 0.000 0.358 367 C C 1.842 176.862 174.990 0.051 0.000 1.289 367 C CA -0.363 58.621 59.018 -0.055 0.000 1.856 367 C CB -0.846 26.847 27.740 -0.078 0.000 2.488 367 C HN 0.358 nan 8.230 nan 0.000 0.604 368 F N 0.859 120.725 119.950 -0.140 0.000 2.773 368 F HA 0.010 4.537 4.527 0.001 0.000 0.299 368 F C 1.765 177.536 175.800 -0.049 0.000 1.204 368 F CA 0.039 57.953 58.000 -0.143 0.000 1.454 368 F CB -0.022 38.934 39.000 -0.074 0.000 1.117 368 F HN 0.290 nan 8.300 nan 0.000 0.590 369 L N 0.443 121.678 121.223 0.020 0.000 1.993 369 L HA -0.123 4.218 4.340 0.001 0.000 0.206 369 L C -0.381 176.248 176.870 -0.402 0.000 1.074 369 L CA 1.206 55.938 54.840 -0.179 0.000 0.746 369 L CB -1.932 39.894 42.059 -0.388 0.000 0.896 369 L HN -0.051 nan 8.230 nan 0.000 0.435 370 P HA -0.237 nan 4.420 nan 0.000 0.219 370 P C 1.496 178.655 177.300 -0.235 0.000 1.149 370 P CA 1.511 64.370 63.100 -0.402 0.000 0.835 370 P CB -0.106 31.512 31.700 -0.137 0.000 0.778 371 L N -1.807 119.233 121.223 -0.306 0.000 2.622 371 L HA -0.036 4.305 4.340 0.001 0.000 0.233 371 L C 2.369 179.161 176.870 -0.130 0.000 1.156 371 L CA 0.490 55.067 54.840 -0.439 0.000 0.866 371 L CB -0.485 40.991 42.059 -0.971 0.000 0.980 371 L HN -0.069 nan 8.230 nan 0.000 0.448 372 R N 0.934 121.503 120.500 0.115 0.000 2.193 372 R HA -0.162 4.179 4.340 0.001 0.000 0.213 372 R C 1.831 178.194 176.300 0.105 0.000 1.055 372 R CA 1.020 57.277 56.100 0.261 0.000 0.995 372 R CB -0.042 30.294 30.300 0.059 0.000 0.893 372 R HN 0.136 nan 8.270 nan 0.000 0.459 373 E N -1.315 118.849 120.200 -0.060 0.000 2.502 373 E HA -0.021 4.330 4.350 0.001 0.000 0.194 373 E C 0.240 176.681 176.600 -0.266 0.000 1.062 373 E CA 0.738 57.026 56.400 -0.186 0.000 0.867 373 E CB 0.075 29.612 29.700 -0.272 0.000 0.888 373 E HN 0.583 nan 8.360 nan 0.000 0.510 374 Y N -2.110 118.335 120.300 0.242 0.000 2.652 374 Y HA 0.305 4.856 4.550 0.001 0.000 0.275 374 Y C 0.369 176.674 175.900 0.675 0.000 1.133 374 Y CA -0.491 57.863 58.100 0.424 0.000 1.246 374 Y CB 0.681 39.463 38.460 0.536 0.000 1.334 374 Y HN -0.163 nan 8.280 nan 0.000 0.493 375 F N 1.094 121.215 119.950 0.284 0.000 2.523 375 F HA 0.377 4.904 4.527 0.001 0.000 0.329 375 F C 0.279 176.255 175.800 0.292 0.000 1.061 375 F CA -1.681 56.470 58.000 0.251 0.000 0.967 375 F CB 1.181 40.300 39.000 0.197 0.000 1.218 375 F HN -0.362 nan 8.300 nan 0.000 0.480 376 K N 1.005 121.654 120.400 0.415 0.000 2.518 376 K HA -0.070 4.250 4.320 0.001 0.000 0.276 376 K C -1.391 175.357 176.600 0.246 0.000 0.974 376 K CA 0.059 56.454 56.287 0.181 0.000 0.986 376 K CB 0.400 32.859 32.500 -0.070 0.000 0.901 376 K HN 0.543 nan 8.250 nan 0.000 0.497 377 Y N 4.285 124.545 120.300 -0.066 0.000 2.341 377 Y HA 0.354 4.904 4.550 0.001 0.000 0.337 377 Y C -1.450 174.343 175.900 -0.178 0.000 1.014 377 Y CA -1.100 56.992 58.100 -0.013 0.000 1.111 377 Y CB 0.622 39.064 38.460 -0.029 0.000 1.194 377 Y HN 0.368 nan 8.280 nan 0.000 0.462 378 F N 3.789 123.339 119.950 -0.666 0.000 2.427 378 F HA 0.365 4.893 4.527 0.001 0.000 0.346 378 F C 0.395 175.692 175.800 -0.840 0.000 1.120 378 F CA -1.073 56.599 58.000 -0.546 0.000 1.033 378 F CB 1.364 40.219 39.000 -0.241 0.000 1.126 378 F HN 0.522 nan 8.300 nan 0.000 0.462 379 S N 1.454 116.931 115.700 -0.371 0.000 2.533 379 S HA 0.278 4.749 4.470 0.001 0.000 0.282 379 S C 0.233 174.776 174.600 -0.095 0.000 1.304 379 S CA -0.688 57.375 58.200 -0.227 0.000 1.063 379 S CB 0.341 63.505 63.200 -0.061 0.000 0.881 379 S HN 0.611 nan 8.310 nan 0.000 0.493 380 T N 0.000 114.528 114.554 -0.043 0.000 3.816 380 T HA 0.000 4.350 4.350 0.001 0.000 0.228 380 T CA 0.000 62.101 62.100 0.002 0.000 1.349 380 T CB 0.000 68.890 68.868 0.037 0.000 0.612 380 T HN 0.000 nan 8.240 nan 0.000 0.658