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 1vpn_1_B DATA FIRST_RESID 32 DATA SEQUENCE GGMEVLDLVT GPDSVTEIEA FLNPRMGQPP TPESLTEGGQ YYGWSRGINL DATA SEQUENCE ATSDTEDSPG NNTLPTWSMA KLQLPMLNED LTCDTLQMWE AVSVKTEVVG DATA SEQUENCE SGSLLDVHGF NKPTDTVNTK GISTPVEGSQ YHVFAVGGEP LDLQGLVTDA DATA SEQUENCE RTKYKEEGVV TIKTITKKDM VNKDQVLNPI SKAKLDKDGM YPVEIWHPDP DATA SEQUENCE AKNENTRYFG NYTGGTTTPP VLQFTNTLTT VLLDENGVGP LCKGEGLYLS DATA SEQUENCE CVDIMGWRVT RNYDVHHWRG LPRYFKITLR KRWVKNPYP 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 32 G HA2 0.000 nan 3.960 nan 0.000 0.244 32 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 32 G C 0.000 174.866 174.900 -0.057 0.000 0.946 32 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 33 G N 1.011 109.784 108.800 -0.045 0.000 2.356 33 G HA2 0.440 4.400 3.960 -0.000 0.000 0.273 33 G HA3 0.440 4.400 3.960 -0.000 0.000 0.273 33 G C -0.085 174.783 174.900 -0.053 0.000 1.213 33 G CA -0.136 44.940 45.100 -0.040 0.000 0.955 33 G HN 0.198 nan 8.290 nan 0.000 0.454 34 M N 2.790 122.358 119.600 -0.053 0.000 3.396 34 M HA 0.210 4.690 4.480 -0.000 0.000 0.255 34 M C 0.394 176.676 176.300 -0.029 0.000 1.398 34 M CA -0.486 54.781 55.300 -0.056 0.000 1.554 34 M CB -0.110 32.454 32.600 -0.060 0.000 1.070 34 M HN 0.580 nan 8.290 nan 0.000 0.587 35 E N 2.049 122.237 120.200 -0.019 0.000 2.105 35 E HA 0.311 4.661 4.350 -0.000 0.000 0.285 35 E C -1.233 175.374 176.600 0.012 0.000 1.055 35 E CA -0.428 55.969 56.400 -0.004 0.000 0.843 35 E CB 0.836 30.535 29.700 -0.002 0.000 1.067 35 E HN 0.366 nan 8.360 nan 0.000 0.398 36 V N 6.695 126.619 119.914 0.016 0.000 2.498 36 V HA 0.202 4.322 4.120 -0.000 0.000 0.279 36 V C 0.658 176.781 176.094 0.048 0.000 1.048 36 V CA -0.131 62.189 62.300 0.034 0.000 0.967 36 V CB 0.801 32.639 31.823 0.026 0.000 0.988 36 V HN 0.693 nan 8.190 nan 0.000 0.473 37 L N 2.157 123.431 121.223 0.085 0.000 2.798 37 L HA 0.617 4.957 4.340 -0.000 0.000 0.230 37 L C 0.069 177.014 176.870 0.126 0.000 1.868 37 L CA -1.039 53.858 54.840 0.095 0.000 2.126 37 L CB 0.403 42.525 42.059 0.105 0.000 2.569 37 L HN 0.403 nan 8.230 nan 0.000 0.592 38 D N 0.471 120.972 120.400 0.167 0.000 2.371 38 D HA 0.332 4.972 4.640 -0.000 0.000 0.242 38 D C -0.330 176.127 176.300 0.262 0.000 1.218 38 D CA -0.011 54.106 54.000 0.194 0.000 0.945 38 D CB 0.557 41.468 40.800 0.185 0.000 1.137 38 D HN 0.120 nan 8.370 nan 0.000 0.464 39 L N 0.709 122.033 121.223 0.169 0.000 2.326 39 L HA 0.238 4.578 4.340 -0.000 0.000 0.278 39 L C -0.023 176.902 176.870 0.091 0.000 1.092 39 L CA -0.912 53.975 54.840 0.079 0.000 0.810 39 L CB 1.031 43.120 42.059 0.050 0.000 1.153 39 L HN -0.000 nan 8.230 nan 0.000 0.439 40 V N 1.837 121.667 119.914 -0.140 0.000 2.614 40 V HA 0.196 4.316 4.120 -0.000 0.000 0.291 40 V C 0.701 176.763 176.094 -0.053 0.000 1.049 40 V CA -0.270 61.903 62.300 -0.212 0.000 1.038 40 V CB 1.116 32.563 31.823 -0.626 0.000 0.980 40 V HN 0.956 nan 8.190 nan 0.000 0.481 41 T N 1.287 115.868 114.554 0.044 0.000 2.949 41 T HA 0.921 5.271 4.350 -0.000 0.000 0.287 41 T C 0.112 174.827 174.700 0.026 0.000 1.034 41 T CA -0.041 62.081 62.100 0.038 0.000 1.018 41 T CB 1.840 70.749 68.868 0.067 0.000 1.135 41 T HN 1.819 nan 8.240 nan 0.000 0.532 42 G N 0.755 109.569 108.800 0.024 0.000 2.462 42 G HA2 0.184 4.144 3.960 -0.000 0.000 0.685 42 G HA3 0.184 4.144 3.960 -0.000 0.000 0.685 42 G C -3.173 171.735 174.900 0.013 0.000 1.295 42 G CA -1.033 44.079 45.100 0.021 0.000 0.941 42 G HN 0.840 nan 8.290 nan 0.000 0.554 43 P HA 0.332 nan 4.420 nan 0.000 0.264 43 P C -0.278 177.034 177.300 0.021 0.000 1.193 43 P CA 0.876 63.988 63.100 0.020 0.000 0.763 43 P CB 0.300 32.012 31.700 0.019 0.000 0.810 44 D N 1.003 121.428 120.400 0.041 0.000 2.870 44 D HA -0.142 4.498 4.640 -0.000 0.000 0.228 44 D C 0.643 176.994 176.300 0.086 0.000 1.147 44 D CA 1.409 55.454 54.000 0.076 0.000 0.757 44 D CB -1.564 39.283 40.800 0.079 0.000 1.091 44 D HN 0.523 nan 8.370 nan 0.000 0.429 45 S N -2.039 113.685 115.700 0.039 0.000 2.496 45 S HA 0.221 4.690 4.470 -0.000 0.000 0.224 45 S C 0.859 175.519 174.600 0.100 0.000 0.996 45 S CA -0.007 58.179 58.200 -0.024 0.000 0.927 45 S CB 0.973 64.137 63.200 -0.060 0.000 0.774 45 S HN 0.168 nan 8.310 nan 0.000 0.524 46 V N 0.693 120.711 119.914 0.173 0.000 2.769 46 V HA 0.762 4.882 4.120 -0.000 0.000 0.312 46 V C -0.211 176.000 176.094 0.195 0.000 1.061 46 V CA -0.418 62.012 62.300 0.216 0.000 0.931 46 V CB 1.884 33.776 31.823 0.114 0.000 1.010 46 V HN 0.368 nan 8.190 nan 0.000 0.433 47 T N 2.492 117.119 114.554 0.120 0.000 2.816 47 T HA 0.519 4.869 4.350 -0.000 0.000 0.299 47 T C -1.679 172.969 174.700 -0.087 0.000 1.230 47 T CA -0.470 61.609 62.100 -0.035 0.000 1.007 47 T CB 2.084 70.822 68.868 -0.217 0.000 1.289 47 T HN 0.756 nan 8.240 nan 0.000 0.508 48 E N 1.810 121.954 120.200 -0.094 0.000 2.234 48 E HA 0.499 4.849 4.350 -0.000 0.000 0.266 48 E C -1.008 175.526 176.600 -0.109 0.000 0.877 48 E CA -0.812 55.542 56.400 -0.077 0.000 0.758 48 E CB 1.456 31.141 29.700 -0.024 0.000 1.170 48 E HN 0.347 nan 8.360 nan 0.000 0.415 49 I N 2.666 123.163 120.570 -0.122 0.000 2.433 49 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 49 I C -0.002 176.052 176.117 -0.105 0.000 1.001 49 I CA -0.413 60.804 61.300 -0.138 0.000 1.119 49 I CB 1.648 39.533 38.000 -0.192 0.000 1.289 49 I HN 0.554 nan 8.210 nan 0.000 0.438 50 E N 3.557 123.706 120.200 -0.085 0.000 2.244 50 E HA 0.876 5.226 4.350 -0.000 0.000 0.266 50 E C -1.131 175.421 176.600 -0.081 0.000 0.914 50 E CA -0.811 55.542 56.400 -0.079 0.000 0.794 50 E CB 2.987 32.718 29.700 0.052 0.000 1.210 50 E HN 0.755 nan 8.360 nan 0.000 0.414 51 A N 1.677 124.442 122.820 -0.091 0.000 2.581 51 A HA 0.500 4.820 4.320 -0.000 0.000 0.294 51 A C -1.914 175.737 177.584 0.112 0.000 1.035 51 A CA -0.900 51.099 52.037 -0.064 0.000 0.684 51 A CB 0.459 19.343 19.000 -0.193 0.000 1.282 51 A HN 0.533 nan 8.150 nan 0.000 0.417 52 F N -0.170 119.848 119.950 0.114 0.000 2.551 52 F HA 0.896 5.423 4.527 -0.000 0.000 0.316 52 F C -1.346 174.550 175.800 0.160 0.000 1.089 52 F CA -1.460 56.658 58.000 0.196 0.000 0.915 52 F CB 1.272 40.390 39.000 0.197 0.000 1.186 52 F HN 0.278 nan 8.300 nan 0.000 0.456 53 L N 3.966 125.408 121.223 0.365 0.000 2.325 53 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 53 L C -0.404 176.636 176.870 0.283 0.000 1.004 53 L CA -0.588 54.393 54.840 0.235 0.000 0.823 53 L CB 1.218 43.425 42.059 0.248 0.000 1.236 53 L HN 0.617 nan 8.230 nan 0.000 0.415 54 N N 4.590 123.446 118.700 0.260 0.000 2.525 54 N HA 0.305 5.045 4.740 -0.000 0.000 0.271 54 N C -2.337 173.254 175.510 0.135 0.000 1.194 54 N CA -1.139 52.032 53.050 0.202 0.000 0.964 54 N CB 0.906 39.534 38.487 0.236 0.000 1.126 54 N HN 0.333 nan 8.380 nan 0.000 0.452 55 P HA 0.128 nan 4.420 nan 0.000 0.272 55 P C -0.599 176.752 177.300 0.086 0.000 1.230 55 P CA -0.143 62.978 63.100 0.035 0.000 0.788 55 P CB 0.807 32.475 31.700 -0.053 0.000 0.949 56 R N 2.831 123.384 120.500 0.088 0.000 2.651 56 R HA 0.284 4.624 4.340 -0.000 0.000 0.282 56 R C 0.861 177.214 176.300 0.088 0.000 1.565 56 R CA -0.577 55.601 56.100 0.132 0.000 1.661 56 R CB 0.488 30.872 30.300 0.140 0.000 1.189 56 R HN 0.469 nan 8.270 nan 0.000 0.621 57 M N -0.901 118.765 119.600 0.109 0.000 2.506 57 M HA 0.150 4.630 4.480 -0.000 0.000 0.260 57 M C 1.143 177.552 176.300 0.180 0.000 1.104 57 M CA 0.985 56.350 55.300 0.107 0.000 1.112 57 M CB 0.126 32.826 32.600 0.167 0.000 1.401 57 M HN 0.644 nan 8.290 nan 0.000 0.473 58 G N -0.637 108.289 108.800 0.210 0.000 4.172 58 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.204 58 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.204 58 G C 0.070 175.097 174.900 0.213 0.000 1.256 58 G CA -0.538 44.687 45.100 0.208 0.000 0.886 58 G HN 0.362 nan 8.290 nan 0.000 0.344 59 Q N 3.041 123.010 119.800 0.282 0.000 2.295 59 Q HA 0.590 4.930 4.340 -0.000 0.000 0.259 59 Q C -2.380 173.775 176.000 0.258 0.000 0.976 59 Q CA -1.721 54.245 55.803 0.272 0.000 0.923 59 Q CB 1.193 30.161 28.738 0.383 0.000 1.185 59 Q HN 0.279 nan 8.270 nan 0.000 0.410 60 P HA 0.084 nan 4.420 nan 0.000 0.271 60 P C -2.160 175.030 177.300 -0.183 0.000 1.233 60 P CA -1.030 62.093 63.100 0.038 0.000 0.789 60 P CB 0.345 32.057 31.700 0.020 0.000 0.951 61 P HA -0.093 nan 4.420 nan 0.000 0.219 61 P C 0.193 177.206 177.300 -0.478 0.000 1.146 61 P CA 1.580 64.107 63.100 -0.955 0.000 0.808 61 P CB -0.150 31.244 31.700 -0.510 0.000 0.779 62 T N -4.795 109.632 114.554 -0.212 0.000 2.924 62 T HA 0.550 4.900 4.350 -0.000 0.000 0.291 62 T C -2.865 171.816 174.700 -0.032 0.000 1.045 62 T CA -2.585 59.458 62.100 -0.094 0.000 1.015 62 T CB 1.484 70.319 68.868 -0.054 0.000 1.103 62 T HN -0.209 nan 8.240 nan 0.000 0.496 63 P HA 0.228 nan 4.420 nan 0.000 0.269 63 P C 0.215 177.520 177.300 0.008 0.000 1.209 63 P CA -0.191 62.914 63.100 0.009 0.000 0.776 63 P CB 1.033 32.751 31.700 0.031 0.000 0.876 64 E N 0.201 120.405 120.200 0.006 0.000 2.285 64 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 64 E C 0.874 177.498 176.600 0.041 0.000 0.997 64 E CA 0.262 56.674 56.400 0.019 0.000 0.845 64 E CB 0.009 29.720 29.700 0.018 0.000 0.782 64 E HN 0.414 nan 8.360 nan 0.000 0.491 65 S N 0.766 116.488 115.700 0.037 0.000 2.563 65 S HA -0.028 4.442 4.470 -0.000 0.000 0.294 65 S C 0.947 175.572 174.600 0.042 0.000 1.279 65 S CA -0.261 57.960 58.200 0.036 0.000 1.069 65 S CB 0.386 63.606 63.200 0.032 0.000 0.828 65 S HN 0.199 nan 8.310 nan 0.000 0.497 66 L N 4.241 125.479 121.223 0.027 0.000 2.610 66 L HA 0.055 4.395 4.340 -0.000 0.000 0.232 66 L C 2.037 178.899 176.870 -0.012 0.000 1.149 66 L CA 0.899 55.744 54.840 0.007 0.000 0.872 66 L CB -0.569 41.488 42.059 -0.002 0.000 0.992 66 L HN 0.904 nan 8.230 nan 0.000 0.447 67 T N -6.435 108.126 114.554 0.010 0.000 2.975 67 T HA 0.107 4.457 4.350 -0.000 0.000 0.257 67 T C 1.190 175.919 174.700 0.049 0.000 1.003 67 T CA -0.239 61.869 62.100 0.013 0.000 0.932 67 T CB 0.243 69.115 68.868 0.007 0.000 1.087 67 T HN 0.185 nan 8.240 nan 0.000 0.512 68 E N 0.839 121.076 120.200 0.062 0.000 2.465 68 E HA 0.455 4.805 4.350 -0.000 0.000 0.195 68 E C 1.359 178.035 176.600 0.126 0.000 1.028 68 E CA 0.186 56.634 56.400 0.081 0.000 0.899 68 E CB 0.404 30.138 29.700 0.057 0.000 1.032 68 E HN 0.652 nan 8.360 nan 0.000 0.468 69 G N 0.078 108.988 108.800 0.183 0.000 2.480 69 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.193 69 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.193 69 G C 1.137 176.223 174.900 0.310 0.000 1.004 69 G CA -0.242 45.046 45.100 0.314 0.000 0.696 69 G HN 0.384 nan 8.290 nan 0.000 0.478 70 G N 1.178 110.081 108.800 0.172 0.000 2.470 70 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.220 70 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.220 70 G C 1.652 176.654 174.900 0.171 0.000 1.121 70 G CA 1.783 46.978 45.100 0.159 0.000 0.766 70 G HN 0.841 nan 8.290 nan 0.000 0.553 71 Q N -0.099 119.723 119.800 0.037 0.000 2.437 71 Q HA -0.100 4.240 4.340 -0.000 0.000 0.210 71 Q C 1.126 177.012 176.000 -0.191 0.000 0.972 71 Q CA 0.889 56.613 55.803 -0.132 0.000 0.903 71 Q CB -0.469 28.071 28.738 -0.329 0.000 0.967 71 Q HN 0.616 nan 8.270 nan 0.000 0.486 72 Y N -0.656 119.746 120.300 0.171 0.000 2.457 72 Y HA 0.145 4.695 4.550 -0.000 0.000 0.263 72 Y C 0.291 176.494 175.900 0.505 0.000 1.164 72 Y CA -0.942 57.309 58.100 0.250 0.000 1.274 72 Y CB 0.065 38.657 38.460 0.221 0.000 1.097 72 Y HN 0.030 nan 8.280 nan 0.000 0.523 73 Y N 1.752 122.289 120.300 0.394 0.000 2.650 73 Y HA 0.360 4.910 4.550 -0.000 0.000 0.331 73 Y C 1.183 177.278 175.900 0.325 0.000 1.165 73 Y CA 0.503 58.790 58.100 0.312 0.000 1.473 73 Y CB 0.283 38.865 38.460 0.202 0.000 1.224 73 Y HN 0.388 nan 8.280 nan 0.000 0.533 74 G N 3.168 111.990 108.800 0.036 0.000 2.201 74 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.212 74 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.212 74 G C -0.525 174.204 174.900 -0.285 0.000 0.994 74 G CA -0.129 44.800 45.100 -0.284 0.000 0.644 74 G HN 0.582 nan 8.290 nan 0.000 0.508 75 W N 0.633 122.052 121.300 0.199 0.000 3.017 75 W HA 0.753 5.413 4.660 -0.000 0.000 0.341 75 W C 0.606 177.341 176.519 0.359 0.000 1.180 75 W CA -0.275 57.245 57.345 0.293 0.000 1.097 75 W CB 0.786 30.439 29.460 0.321 0.000 1.468 75 W HN 0.524 nan 8.180 nan 0.000 0.584 76 S N 0.839 116.963 115.700 0.707 0.000 2.730 76 S HA 0.689 5.159 4.470 -0.000 0.000 0.284 76 S C 0.056 174.962 174.600 0.511 0.000 1.153 76 S CA -0.858 57.669 58.200 0.545 0.000 0.995 76 S CB 1.216 64.806 63.200 0.650 0.000 1.058 76 S HN 0.331 nan 8.310 nan 0.000 0.552 77 R N 0.109 120.763 120.500 0.257 0.000 2.541 77 R HA 0.464 4.804 4.340 -0.000 0.000 0.263 77 R C 0.912 177.126 176.300 -0.144 0.000 1.112 77 R CA -0.253 55.870 56.100 0.040 0.000 1.170 77 R CB -0.378 29.876 30.300 -0.076 0.000 1.167 77 R HN 0.959 nan 8.270 nan 0.000 0.582 78 G N 1.224 109.799 108.800 -0.375 0.000 2.202 78 G HA2 0.020 3.980 3.960 -0.000 0.000 0.251 78 G HA3 0.020 3.980 3.960 -0.000 0.000 0.251 78 G C 0.389 175.156 174.900 -0.223 0.000 1.219 78 G CA -0.257 44.533 45.100 -0.515 0.000 0.943 78 G HN 0.432 nan 8.290 nan 0.000 0.465 79 I N 3.156 123.598 120.570 -0.213 0.000 2.581 79 I HA -0.031 4.139 4.170 -0.000 0.000 0.285 79 I C 0.619 176.673 176.117 -0.105 0.000 1.129 79 I CA -0.206 61.029 61.300 -0.109 0.000 1.397 79 I CB 0.084 37.974 38.000 -0.183 0.000 1.399 79 I HN 0.585 nan 8.210 nan 0.000 0.537 80 N N 8.529 127.196 118.700 -0.054 0.000 2.438 80 N HA 0.384 5.124 4.740 -0.000 0.000 0.282 80 N C -0.941 174.532 175.510 -0.061 0.000 1.037 80 N CA -0.593 52.423 53.050 -0.056 0.000 0.942 80 N CB 1.898 40.365 38.487 -0.034 0.000 1.136 80 N HN 0.438 nan 8.380 nan 0.000 0.481 81 L N 0.907 122.082 121.223 -0.081 0.000 2.399 81 L HA 0.517 4.857 4.340 -0.000 0.000 0.265 81 L C 1.076 177.902 176.870 -0.073 0.000 1.089 81 L CA -1.245 53.544 54.840 -0.086 0.000 0.802 81 L CB 0.960 42.954 42.059 -0.108 0.000 1.180 81 L HN 0.612 nan 8.230 nan 0.000 0.454 82 A N 0.349 123.126 122.820 -0.072 0.000 2.483 82 A HA 0.268 4.588 4.320 -0.000 0.000 0.238 82 A C 1.022 178.566 177.584 -0.066 0.000 1.070 82 A CA 0.261 52.257 52.037 -0.068 0.000 0.770 82 A CB 0.137 19.096 19.000 -0.069 0.000 1.008 82 A HN 0.893 nan 8.150 nan 0.000 0.497 83 T N -1.625 112.894 114.554 -0.060 0.000 3.060 83 T HA 0.378 4.728 4.350 -0.000 0.000 0.249 83 T C 0.545 175.214 174.700 -0.052 0.000 1.079 83 T CA 0.635 62.701 62.100 -0.057 0.000 1.013 83 T CB -0.620 68.218 68.868 -0.051 0.000 0.975 83 T HN 1.773 nan 8.240 nan 0.000 0.518 84 S N -0.086 115.584 115.700 -0.051 0.000 2.655 84 S HA 0.313 4.783 4.470 -0.000 0.000 0.266 84 S C -0.138 174.435 174.600 -0.046 0.000 1.149 84 S CA -0.218 57.955 58.200 -0.045 0.000 0.818 84 S CB 0.896 64.072 63.200 -0.040 0.000 1.130 84 S HN 0.006 nan 8.310 nan 0.000 0.476 85 D N 0.493 120.868 120.400 -0.041 0.000 2.350 85 D HA -0.004 4.636 4.640 -0.000 0.000 0.216 85 D C 1.430 177.705 176.300 -0.042 0.000 0.968 85 D CA 1.931 55.907 54.000 -0.040 0.000 0.894 85 D CB 0.045 40.825 40.800 -0.033 0.000 0.909 85 D HN 0.715 nan 8.370 nan 0.000 0.520 86 T N -3.745 110.784 114.554 -0.042 0.000 3.091 86 T HA 0.233 4.583 4.350 -0.000 0.000 0.277 86 T C 0.200 174.870 174.700 -0.049 0.000 0.996 86 T CA -0.527 61.548 62.100 -0.043 0.000 0.897 86 T CB 0.398 69.246 68.868 -0.034 0.000 1.109 86 T HN -0.132 nan 8.240 nan 0.000 0.534 87 E N 2.255 122.423 120.200 -0.053 0.000 2.873 87 E HA 0.320 4.670 4.350 -0.000 0.000 0.232 87 E C -1.585 174.973 176.600 -0.069 0.000 1.123 87 E CA -0.207 56.159 56.400 -0.057 0.000 0.809 87 E CB 1.301 30.973 29.700 -0.047 0.000 1.366 87 E HN 0.349 nan 8.360 nan 0.000 0.400 88 D N 0.733 121.079 120.400 -0.089 0.000 2.454 88 D HA 0.212 4.852 4.640 -0.000 0.000 0.247 88 D C -0.987 175.232 176.300 -0.136 0.000 1.129 88 D CA -0.495 53.440 54.000 -0.108 0.000 0.877 88 D CB 0.721 41.447 40.800 -0.123 0.000 1.082 88 D HN -0.144 nan 8.370 nan 0.000 0.537 89 S N 5.413 121.054 115.700 -0.098 0.000 2.269 89 S HA 0.358 4.828 4.470 -0.000 0.000 0.194 89 S C -2.419 172.151 174.600 -0.049 0.000 1.547 89 S CA -1.019 57.130 58.200 -0.085 0.000 1.186 89 S CB 1.043 64.212 63.200 -0.052 0.000 1.069 89 S HN 0.451 nan 8.310 nan 0.000 0.473 90 P HA 0.193 nan 4.420 nan 0.000 0.271 90 P C 0.447 177.787 177.300 0.066 0.000 1.216 90 P CA -0.031 63.084 63.100 0.026 0.000 0.771 90 P CB 0.562 32.304 31.700 0.069 0.000 0.864 91 G N 2.555 111.393 108.800 0.065 0.000 2.527 91 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.248 91 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.248 91 G C 0.997 175.958 174.900 0.103 0.000 1.231 91 G CA -0.426 44.715 45.100 0.069 0.000 0.838 91 G HN 0.408 nan 8.290 nan 0.000 0.570 92 N N 1.096 119.853 118.700 0.095 0.000 2.104 92 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 92 N C 1.923 177.498 175.510 0.108 0.000 1.024 92 N CA 1.503 54.614 53.050 0.101 0.000 0.853 92 N CB -0.163 38.370 38.487 0.078 0.000 1.008 92 N HN 0.709 nan 8.380 nan 0.000 0.424 93 N N -0.054 118.707 118.700 0.101 0.000 2.515 93 N HA -0.047 4.693 4.740 -0.000 0.000 0.191 93 N C 0.742 176.347 175.510 0.158 0.000 1.182 93 N CA 0.810 53.932 53.050 0.119 0.000 0.879 93 N CB -0.596 37.946 38.487 0.091 0.000 0.984 93 N HN 0.272 nan 8.380 nan 0.000 0.453 94 T N -3.451 111.206 114.554 0.172 0.000 3.044 94 T HA 0.304 4.654 4.350 -0.000 0.000 0.260 94 T C 0.190 175.084 174.700 0.324 0.000 1.019 94 T CA -0.471 61.780 62.100 0.252 0.000 0.921 94 T CB -0.160 68.818 68.868 0.183 0.000 1.053 94 T HN 0.063 nan 8.240 nan 0.000 0.533 95 L N 2.485 123.829 121.223 0.201 0.000 2.276 95 L HA 0.514 4.854 4.340 -0.000 0.000 0.286 95 L C -2.741 174.127 176.870 -0.004 0.000 1.024 95 L CA -2.502 52.407 54.840 0.114 0.000 0.826 95 L CB 1.565 43.696 42.059 0.121 0.000 1.211 95 L HN -0.099 nan 8.230 nan 0.000 0.422 96 P HA 0.125 nan 4.420 nan 0.000 0.271 96 P C -0.476 176.744 177.300 -0.134 0.000 1.216 96 P CA -0.065 62.897 63.100 -0.230 0.000 0.776 96 P CB 0.942 32.317 31.700 -0.541 0.000 0.881 97 T N -1.021 113.512 114.554 -0.034 0.000 2.930 97 T HA 0.473 4.823 4.350 -0.000 0.000 0.290 97 T C -0.827 173.931 174.700 0.097 0.000 1.052 97 T CA -0.947 61.197 62.100 0.074 0.000 1.017 97 T CB 0.578 69.540 68.868 0.157 0.000 1.137 97 T HN 0.159 nan 8.240 nan 0.000 0.511 98 W N 1.377 122.742 121.300 0.109 0.000 2.181 98 W HA 0.448 5.108 4.660 0.000 0.000 0.335 98 W C 0.581 177.152 176.519 0.087 0.000 1.310 98 W CA 0.128 57.529 57.345 0.092 0.000 1.226 98 W CB 0.511 30.005 29.460 0.056 0.000 1.155 98 W HN 0.574 nan 8.180 nan 0.000 0.565 99 S N 3.699 119.618 115.700 0.364 0.000 2.541 99 S HA 0.727 5.197 4.470 -0.000 0.000 0.283 99 S C -0.360 174.386 174.600 0.243 0.000 1.196 99 S CA -0.788 57.563 58.200 0.252 0.000 1.062 99 S CB 0.944 64.272 63.200 0.212 0.000 1.009 99 S HN 0.377 nan 8.310 nan 0.000 0.502 100 M N 1.391 121.073 119.600 0.137 0.000 2.578 100 M HA 0.921 5.401 4.480 -0.000 0.000 0.276 100 M C -1.618 174.675 176.300 -0.011 0.000 1.245 100 M CA -0.849 54.488 55.300 0.061 0.000 0.871 100 M CB 1.245 33.868 32.600 0.037 0.000 1.722 100 M HN 0.538 nan 8.290 nan 0.000 0.473 101 A N 1.444 124.213 122.820 -0.084 0.000 2.547 101 A HA 0.808 5.128 4.320 -0.000 0.000 0.297 101 A C -1.748 175.685 177.584 -0.251 0.000 1.056 101 A CA -0.803 51.139 52.037 -0.157 0.000 0.688 101 A CB 1.672 20.551 19.000 -0.202 0.000 1.282 101 A HN 0.988 nan 8.150 nan 0.000 0.400 102 K N 3.027 123.237 120.400 -0.317 0.000 2.425 102 K HA 0.658 4.978 4.320 -0.000 0.000 0.259 102 K C -1.561 174.808 176.600 -0.385 0.000 0.978 102 K CA -0.399 55.555 56.287 -0.554 0.000 0.883 102 K CB 0.579 32.703 32.500 -0.627 0.000 1.110 102 K HN 0.684 nan 8.250 nan 0.000 0.436 103 L N 3.852 124.852 121.223 -0.371 0.000 2.307 103 L HA 0.329 4.669 4.340 -0.000 0.000 0.284 103 L C 0.100 176.825 176.870 -0.243 0.000 1.023 103 L CA -1.155 53.522 54.840 -0.271 0.000 0.810 103 L CB 1.663 43.569 42.059 -0.254 0.000 1.231 103 L HN 0.493 nan 8.230 nan 0.000 0.423 104 Q N 3.752 123.439 119.800 -0.188 0.000 2.304 104 Q HA 0.454 4.794 4.340 -0.000 0.000 0.260 104 Q C -0.513 175.392 176.000 -0.158 0.000 0.965 104 Q CA 0.056 55.771 55.803 -0.146 0.000 0.898 104 Q CB 1.719 30.395 28.738 -0.104 0.000 1.196 104 Q HN 0.506 nan 8.270 nan 0.000 0.402 105 L N 4.400 125.534 121.223 -0.148 0.000 2.352 105 L HA 0.479 4.819 4.340 -0.000 0.000 0.269 105 L C -1.855 174.992 176.870 -0.040 0.000 1.034 105 L CA -2.130 52.572 54.840 -0.230 0.000 0.806 105 L CB 1.103 42.934 42.059 -0.380 0.000 1.244 105 L HN 0.395 nan 8.230 nan 0.000 0.447 106 P HA 0.009 nan 4.420 nan 0.000 0.268 106 P C -0.548 176.931 177.300 0.300 0.000 1.204 106 P CA -0.188 63.015 63.100 0.172 0.000 0.768 106 P CB 0.729 32.558 31.700 0.216 0.000 0.842 107 M N 3.436 123.128 119.600 0.152 0.000 2.249 107 M HA 0.025 4.505 4.480 -0.000 0.000 0.340 107 M C 0.538 176.881 176.300 0.072 0.000 1.166 107 M CA 0.552 55.915 55.300 0.106 0.000 1.115 107 M CB 0.199 32.827 32.600 0.045 0.000 1.606 107 M HN 0.326 nan 8.290 nan 0.000 0.448 108 L N 2.327 123.553 121.223 0.006 0.000 2.600 108 L HA 0.247 4.587 4.340 -0.000 0.000 0.213 108 L C 0.191 177.010 176.870 -0.084 0.000 1.045 108 L CA -0.039 54.741 54.840 -0.100 0.000 0.863 108 L CB 0.048 41.950 42.059 -0.262 0.000 1.189 108 L HN 0.625 nan 8.230 nan 0.000 0.484 109 N N 1.246 119.914 118.700 -0.054 0.000 2.417 109 N HA 0.109 4.849 4.740 -0.000 0.000 0.274 109 N C 0.320 175.807 175.510 -0.038 0.000 0.987 109 N CA -0.102 52.924 53.050 -0.039 0.000 0.912 109 N CB 1.945 40.417 38.487 -0.025 0.000 1.177 109 N HN 0.278 nan 8.380 nan 0.000 0.490 110 E N 0.140 120.324 120.200 -0.026 0.000 2.112 110 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 110 E C -0.393 176.186 176.600 -0.036 0.000 0.979 110 E CA 0.649 57.033 56.400 -0.026 0.000 0.814 110 E CB 0.297 29.988 29.700 -0.014 0.000 0.762 110 E HN 0.293 nan 8.360 nan 0.000 0.460 111 D N 0.381 120.764 120.400 -0.028 0.000 2.425 111 D HA 0.185 4.825 4.640 -0.000 0.000 0.240 111 D C 0.245 176.520 176.300 -0.043 0.000 1.080 111 D CA -0.514 53.467 54.000 -0.032 0.000 0.836 111 D CB 1.595 42.389 40.800 -0.010 0.000 1.125 111 D HN 0.075 nan 8.370 nan 0.000 0.525 112 L N 2.824 123.992 121.223 -0.092 0.000 2.627 112 L HA 0.039 4.379 4.340 -0.000 0.000 0.233 112 L C 1.835 178.690 176.870 -0.024 0.000 1.144 112 L CA 0.550 55.306 54.840 -0.139 0.000 0.892 112 L CB -0.203 41.633 42.059 -0.372 0.000 1.039 112 L HN 0.474 nan 8.230 nan 0.000 0.442 113 T N -4.901 109.652 114.554 -0.001 0.000 3.081 113 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 113 T C 0.874 175.601 174.700 0.044 0.000 1.100 113 T CA -0.365 61.751 62.100 0.027 0.000 1.038 113 T CB -0.580 68.295 68.868 0.012 0.000 0.962 113 T HN 0.148 nan 8.240 nan 0.000 0.516 114 C N 3.362 122.691 119.300 0.048 0.000 2.611 114 C HA 0.123 4.583 4.460 -0.000 0.000 0.416 114 C C 2.056 177.088 174.990 0.070 0.000 1.366 114 C CA -0.046 59.005 59.018 0.056 0.000 1.761 114 C CB -0.258 27.523 27.740 0.068 0.000 2.619 114 C HN 0.620 nan 8.230 nan 0.000 0.606 115 D N 1.132 121.561 120.400 0.048 0.000 2.123 115 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 115 D C 0.595 176.928 176.300 0.055 0.000 0.992 115 D CA 1.439 55.463 54.000 0.040 0.000 0.833 115 D CB 0.257 41.065 40.800 0.013 0.000 0.954 115 D HN 0.686 nan 8.370 nan 0.000 0.455 116 T N 0.128 114.724 114.554 0.069 0.000 2.807 116 T HA 0.588 4.938 4.350 -0.000 0.000 0.279 116 T C -0.310 174.520 174.700 0.215 0.000 0.993 116 T CA -0.712 61.457 62.100 0.115 0.000 0.970 116 T CB 1.748 70.636 68.868 0.034 0.000 0.950 116 T HN -0.029 nan 8.240 nan 0.000 0.441 117 L N 1.755 123.125 121.223 0.246 0.000 2.257 117 L HA 0.603 4.943 4.340 -0.000 0.000 0.257 117 L C -0.151 176.808 176.870 0.149 0.000 1.033 117 L CA -1.251 53.715 54.840 0.209 0.000 0.835 117 L CB 1.796 43.964 42.059 0.180 0.000 1.398 117 L HN 0.426 nan 8.230 nan 0.000 0.429 118 Q N 0.888 120.649 119.800 -0.064 0.000 2.306 118 Q HA 0.715 5.055 4.340 -0.000 0.000 0.265 118 Q C -1.309 174.551 176.000 -0.233 0.000 1.022 118 Q CA -0.506 55.107 55.803 -0.316 0.000 0.853 118 Q CB 3.013 31.402 28.738 -0.582 0.000 1.327 118 Q HN 0.455 nan 8.270 nan 0.000 0.449 119 M N 1.023 120.461 119.600 -0.270 0.000 2.433 119 M HA 0.338 4.817 4.480 -0.000 0.000 0.290 119 M C -1.836 174.350 176.300 -0.190 0.000 1.173 119 M CA -0.475 54.728 55.300 -0.162 0.000 0.905 119 M CB 2.258 34.839 32.600 -0.032 0.000 1.692 119 M HN 0.608 nan 8.290 nan 0.000 0.462 120 W N 2.508 123.788 121.300 -0.033 0.000 2.253 120 W HA 0.244 4.904 4.660 -0.000 0.000 0.322 120 W C 0.308 176.817 176.519 -0.018 0.000 1.342 120 W CA 0.175 57.500 57.345 -0.034 0.000 1.218 120 W CB 0.388 29.833 29.460 -0.026 0.000 1.205 120 W HN 0.444 nan 8.180 nan 0.000 0.551 121 E N 2.576 122.949 120.200 0.288 0.000 2.199 121 E HA 0.567 4.917 4.350 -0.000 0.000 0.265 121 E C -1.009 175.690 176.600 0.165 0.000 0.882 121 E CA -0.880 55.619 56.400 0.166 0.000 0.759 121 E CB 1.297 31.056 29.700 0.098 0.000 1.148 121 E HN 0.467 nan 8.360 nan 0.000 0.412 122 A N 4.106 126.998 122.820 0.121 0.000 2.354 122 A HA 0.299 4.619 4.320 -0.000 0.000 0.281 122 A C 0.638 178.279 177.584 0.095 0.000 1.174 122 A CA -0.444 51.652 52.037 0.098 0.000 0.828 122 A CB 0.816 19.870 19.000 0.089 0.000 1.099 122 A HN 0.537 nan 8.150 nan 0.000 0.516 123 V N 2.303 122.270 119.914 0.088 0.000 2.492 123 V HA 0.087 4.207 4.120 -0.000 0.000 0.241 123 V C 1.129 177.272 176.094 0.081 0.000 1.041 123 V CA 1.794 64.141 62.300 0.080 0.000 1.057 123 V CB -0.622 31.244 31.823 0.072 0.000 0.711 123 V HN 1.085 nan 8.190 nan 0.000 0.468 124 S N -1.755 113.992 115.700 0.079 0.000 2.636 124 S HA 0.694 5.164 4.470 -0.000 0.000 0.268 124 S C -1.367 173.280 174.600 0.079 0.000 1.159 124 S CA -0.404 57.843 58.200 0.079 0.000 0.815 124 S CB 2.227 65.459 63.200 0.054 0.000 1.130 124 S HN 0.338 nan 8.310 nan 0.000 0.471 125 V N 0.364 120.321 119.914 0.072 0.000 2.851 125 V HA 0.633 4.753 4.120 -0.000 0.000 0.307 125 V C -1.817 174.269 176.094 -0.013 0.000 1.129 125 V CA -0.594 61.741 62.300 0.058 0.000 0.932 125 V CB 2.027 33.939 31.823 0.149 0.000 1.024 125 V HN 0.967 nan 8.190 nan 0.000 0.426 126 K N 3.636 124.020 120.400 -0.027 0.000 2.281 126 K HA 0.551 4.871 4.320 -0.000 0.000 0.272 126 K C -0.666 175.865 176.600 -0.116 0.000 1.048 126 K CA -0.211 56.050 56.287 -0.044 0.000 0.898 126 K CB 1.612 34.140 32.500 0.046 0.000 1.128 126 K HN 0.762 nan 8.250 nan 0.000 0.460 127 T N 2.113 116.498 114.554 -0.281 0.000 2.887 127 T HA 0.339 4.689 4.350 -0.000 0.000 0.288 127 T C -1.532 172.960 174.700 -0.348 0.000 1.021 127 T CA -0.578 61.228 62.100 -0.489 0.000 1.000 127 T CB 1.287 69.530 68.868 -1.040 0.000 1.034 127 T HN 0.669 nan 8.240 nan 0.000 0.467 128 E N 2.670 122.719 120.200 -0.252 0.000 2.335 128 E HA 0.508 4.858 4.350 -0.000 0.000 0.280 128 E C -1.695 174.820 176.600 -0.142 0.000 0.918 128 E CA -0.740 55.572 56.400 -0.147 0.000 0.765 128 E CB 1.907 31.587 29.700 -0.035 0.000 1.218 128 E HN 0.449 nan 8.360 nan 0.000 0.425 129 V N 4.079 123.910 119.914 -0.139 0.000 2.385 129 V HA 0.265 4.385 4.120 -0.000 0.000 0.269 129 V C -0.027 175.970 176.094 -0.163 0.000 1.043 129 V CA -0.535 61.692 62.300 -0.122 0.000 0.906 129 V CB 1.123 32.883 31.823 -0.105 0.000 0.995 129 V HN 0.454 nan 8.190 nan 0.000 0.467 130 V N 4.126 123.940 119.914 -0.166 0.000 2.539 130 V HA 0.801 4.921 4.120 -0.000 0.000 0.292 130 V C 1.117 177.057 176.094 -0.256 0.000 1.045 130 V CA 0.651 62.801 62.300 -0.249 0.000 0.945 130 V CB 0.988 32.689 31.823 -0.203 0.000 0.993 130 V HN 1.130 nan 8.190 nan 0.000 0.464 131 G N 3.180 111.777 108.800 -0.338 0.000 2.184 131 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.206 131 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.206 131 G C 1.054 175.810 174.900 -0.240 0.000 0.995 131 G CA 0.704 45.645 45.100 -0.265 0.000 0.651 131 G HN 1.093 nan 8.290 nan 0.000 0.511 132 S N 0.011 115.539 115.700 -0.288 0.000 2.419 132 S HA 0.064 4.534 4.470 -0.000 0.000 0.235 132 S C 2.474 177.008 174.600 -0.110 0.000 1.019 132 S CA 1.754 59.856 58.200 -0.164 0.000 0.982 132 S CB -0.691 62.447 63.200 -0.104 0.000 0.789 132 S HN 1.603 nan 8.310 nan 0.000 0.490 133 G N 1.938 110.645 108.800 -0.155 0.000 2.448 133 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 133 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 133 G C 1.666 176.540 174.900 -0.043 0.000 1.127 133 G CA 1.114 46.172 45.100 -0.069 0.000 0.766 133 G HN 0.818 nan 8.290 nan 0.000 0.552 134 S N 0.442 116.104 115.700 -0.065 0.000 2.447 134 S HA 0.058 4.528 4.470 -0.000 0.000 0.233 134 S C 2.116 176.714 174.600 -0.003 0.000 1.006 134 S CA 0.566 58.748 58.200 -0.030 0.000 0.957 134 S CB -0.295 62.879 63.200 -0.044 0.000 0.773 134 S HN 0.310 nan 8.310 nan 0.000 0.507 135 L N 0.472 121.689 121.223 -0.010 0.000 2.551 135 L HA 0.185 4.525 4.340 -0.000 0.000 0.228 135 L C 1.723 178.605 176.870 0.020 0.000 1.153 135 L CA 0.420 55.271 54.840 0.018 0.000 0.851 135 L CB -0.545 41.521 42.059 0.012 0.000 0.959 135 L HN 0.337 nan 8.230 nan 0.000 0.451 136 L N -0.440 120.792 121.223 0.015 0.000 2.599 136 L HA -0.008 4.332 4.340 -0.000 0.000 0.230 136 L C 0.645 177.524 176.870 0.014 0.000 1.141 136 L CA -0.003 54.850 54.840 0.023 0.000 0.877 136 L CB -0.310 41.768 42.059 0.032 0.000 1.009 136 L HN 0.152 nan 8.230 nan 0.000 0.447 137 D N 0.960 121.346 120.400 -0.023 0.000 2.374 137 D HA 0.093 4.733 4.640 -0.000 0.000 0.240 137 D C 0.573 176.761 176.300 -0.187 0.000 1.229 137 D CA -0.045 53.864 54.000 -0.152 0.000 0.895 137 D CB 1.173 41.853 40.800 -0.201 0.000 1.046 137 D HN 0.015 nan 8.370 nan 0.000 0.498 138 V N 2.140 121.972 119.914 -0.136 0.000 2.988 138 V HA 0.330 4.450 4.120 -0.000 0.000 0.356 138 V C 0.268 176.343 176.094 -0.032 0.000 1.380 138 V CA -0.179 62.079 62.300 -0.069 0.000 1.184 138 V CB -0.753 31.071 31.823 0.001 0.000 1.204 138 V HN 0.567 nan 8.190 nan 0.000 0.530 139 H N -1.392 117.697 119.070 0.031 0.000 2.592 139 H HA 0.708 5.264 4.556 -0.000 0.000 0.279 139 H C 0.950 176.305 175.328 0.046 0.000 1.089 139 H CA 0.090 56.157 56.048 0.032 0.000 1.150 139 H CB 0.067 29.844 29.762 0.026 0.000 1.575 139 H HN 0.401 nan 8.280 nan 0.000 0.547 140 G N 0.009 108.767 108.800 -0.070 0.000 2.514 140 G HA2 0.109 4.069 3.960 -0.000 0.000 0.245 140 G HA3 0.109 4.069 3.960 -0.000 0.000 0.245 140 G C -0.530 174.461 174.900 0.152 0.000 1.488 140 G CA -0.571 44.549 45.100 0.033 0.000 1.063 140 G HN 0.320 nan 8.290 nan 0.000 0.557 141 F N 0.952 120.857 119.950 -0.076 0.000 2.772 141 F HA 0.386 4.913 4.527 -0.000 0.000 0.302 141 F C 0.714 176.465 175.800 -0.081 0.000 1.136 141 F CA -1.216 56.742 58.000 -0.068 0.000 1.322 141 F CB -0.368 38.589 39.000 -0.072 0.000 0.967 141 F HN 0.081 nan 8.300 nan 0.000 0.513 142 N N 1.146 119.785 118.700 -0.101 0.000 2.294 142 N HA 0.014 4.754 4.740 -0.000 0.000 0.248 142 N C -0.047 175.336 175.510 -0.212 0.000 1.300 142 N CA -0.298 52.665 53.050 -0.146 0.000 0.925 142 N CB 0.274 38.704 38.487 -0.096 0.000 1.188 142 N HN 0.128 nan 8.380 nan 0.000 0.512 143 K N 1.874 122.170 120.400 -0.173 0.000 2.491 143 K HA 0.022 4.342 4.320 -0.000 0.000 0.279 143 K C -2.171 174.348 176.600 -0.135 0.000 1.026 143 K CA -0.781 55.407 56.287 -0.165 0.000 1.070 143 K CB 0.137 32.565 32.500 -0.121 0.000 0.887 143 K HN 0.335 nan 8.250 nan 0.000 0.481 144 P HA 0.021 nan 4.420 nan 0.000 0.276 144 P C 0.240 177.503 177.300 -0.061 0.000 1.244 144 P CA -0.299 62.743 63.100 -0.096 0.000 0.801 144 P CB 1.165 32.802 31.700 -0.104 0.000 1.006 145 T N -3.245 111.286 114.554 -0.039 0.000 3.023 145 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 145 T C 0.585 175.272 174.700 -0.021 0.000 1.093 145 T CA 0.716 62.801 62.100 -0.024 0.000 1.129 145 T CB -0.518 68.344 68.868 -0.011 0.000 0.899 145 T HN 0.320 nan 8.240 nan 0.000 0.491 146 D N 2.429 122.814 120.400 -0.025 0.000 2.485 146 D HA 0.214 4.854 4.640 -0.000 0.000 0.229 146 D C 1.295 177.577 176.300 -0.030 0.000 1.101 146 D CA -0.222 53.766 54.000 -0.021 0.000 0.906 146 D CB 1.270 42.061 40.800 -0.015 0.000 1.019 146 D HN 0.301 nan 8.370 nan 0.000 0.516 147 T N -0.345 114.191 114.554 -0.030 0.000 3.055 147 T HA -0.044 4.306 4.350 -0.000 0.000 0.265 147 T C 1.854 176.536 174.700 -0.030 0.000 1.111 147 T CA 0.412 62.490 62.100 -0.036 0.000 1.118 147 T CB 0.034 68.882 68.868 -0.033 0.000 0.909 147 T HN 0.148 nan 8.240 nan 0.000 0.501 148 V N 2.628 122.530 119.914 -0.021 0.000 2.323 148 V HA -0.046 4.074 4.120 -0.000 0.000 0.244 148 V C 2.183 178.267 176.094 -0.017 0.000 1.041 148 V CA 1.498 63.788 62.300 -0.016 0.000 1.025 148 V CB -0.448 31.369 31.823 -0.011 0.000 0.656 148 V HN 0.562 nan 8.190 nan 0.000 0.451 149 N N -1.367 117.323 118.700 -0.017 0.000 2.205 149 N HA 0.037 4.777 4.740 -0.000 0.000 0.201 149 N C 0.188 175.687 175.510 -0.019 0.000 1.128 149 N CA 0.661 53.703 53.050 -0.014 0.000 0.867 149 N CB 0.830 39.312 38.487 -0.008 0.000 0.996 149 N HN 0.448 nan 8.380 nan 0.000 0.503 150 T N 1.188 115.723 114.554 -0.032 0.000 3.860 150 T HA -0.121 4.229 4.350 -0.000 0.000 0.378 150 T C 0.019 174.698 174.700 -0.034 0.000 0.761 150 T CA 1.038 63.109 62.100 -0.049 0.000 2.004 150 T CB -0.767 68.069 68.868 -0.053 0.000 1.778 150 T HN 0.243 nan 8.240 nan 0.000 0.801 151 K N -0.808 119.576 120.400 -0.027 0.000 1.961 151 K HA 0.837 5.157 4.320 -0.000 0.000 0.247 151 K C 1.193 177.785 176.600 -0.013 0.000 0.976 151 K CA -0.075 56.205 56.287 -0.012 0.000 0.828 151 K CB 0.694 33.192 32.500 -0.004 0.000 1.585 151 K HN 0.586 nan 8.250 nan 0.000 0.537 152 G N 0.881 109.680 108.800 -0.002 0.000 2.527 152 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.262 152 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.262 152 G C -0.245 174.659 174.900 0.007 0.000 1.153 152 G CA 0.158 45.258 45.100 0.001 0.000 0.954 152 G HN 0.726 nan 8.290 nan 0.000 0.552 153 I N -2.351 118.220 120.570 0.003 0.000 3.145 153 I HA 0.796 4.966 4.170 -0.000 0.000 0.313 153 I C 0.265 176.377 176.117 -0.009 0.000 1.122 153 I CA -0.504 60.802 61.300 0.010 0.000 0.987 153 I CB 2.160 40.170 38.000 0.017 0.000 1.236 153 I HN 0.728 nan 8.210 nan 0.000 0.453 154 S N 1.693 117.388 115.700 -0.008 0.000 2.455 154 S HA 0.215 4.685 4.470 -0.000 0.000 0.278 154 S C 0.130 174.713 174.600 -0.029 0.000 1.216 154 S CA -0.289 57.891 58.200 -0.033 0.000 1.055 154 S CB -0.319 62.861 63.200 -0.032 0.000 0.939 154 S HN 0.658 nan 8.310 nan 0.000 0.494 155 T N 8.895 123.429 114.554 -0.035 0.000 2.822 155 T HA 0.117 4.467 4.350 -0.000 0.000 0.288 155 T C -1.983 172.720 174.700 0.005 0.000 0.991 155 T CA -0.441 61.650 62.100 -0.015 0.000 1.176 155 T CB 0.073 68.927 68.868 -0.024 0.000 0.951 155 T HN 0.585 nan 8.240 nan 0.000 0.526 156 P HA 0.172 nan 4.420 nan 0.000 0.274 156 P C -0.111 177.237 177.300 0.079 0.000 1.246 156 P CA -0.554 62.574 63.100 0.047 0.000 0.795 156 P CB 0.560 32.283 31.700 0.039 0.000 1.006 157 V N 1.775 121.759 119.914 0.115 0.000 2.617 157 V HA -0.023 4.097 4.120 -0.000 0.000 0.304 157 V C 0.892 177.051 176.094 0.108 0.000 1.040 157 V CA 1.140 63.529 62.300 0.148 0.000 1.149 157 V CB -0.854 31.062 31.823 0.155 0.000 0.914 157 V HN 0.591 nan 8.190 nan 0.000 0.487 158 E N 2.302 122.583 120.200 0.137 0.000 2.458 158 E HA 0.742 5.092 4.350 -0.000 0.000 0.278 158 E C 0.107 176.800 176.600 0.155 0.000 1.004 158 E CA -0.271 56.202 56.400 0.121 0.000 0.823 158 E CB 2.321 32.099 29.700 0.131 0.000 1.396 158 E HN 0.944 nan 8.360 nan 0.000 0.463 159 G N 0.395 109.264 108.800 0.115 0.000 2.378 159 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.198 159 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.198 159 G C -0.753 174.055 174.900 -0.154 0.000 1.223 159 G CA -0.489 44.669 45.100 0.097 0.000 1.088 159 G HN 0.428 nan 8.290 nan 0.000 0.530 160 S N 0.912 116.371 115.700 -0.401 0.000 2.533 160 S HA 0.492 4.962 4.470 -0.000 0.000 0.282 160 S C 0.202 174.657 174.600 -0.242 0.000 1.304 160 S CA 0.336 58.379 58.200 -0.262 0.000 1.063 160 S CB 1.021 64.192 63.200 -0.048 0.000 0.881 160 S HN 0.618 nan 8.310 nan 0.000 0.493 161 Q N 1.351 121.047 119.800 -0.173 0.000 2.394 161 Q HA 0.593 4.933 4.340 -0.000 0.000 0.273 161 Q C -1.626 174.352 176.000 -0.037 0.000 1.089 161 Q CA -0.704 55.023 55.803 -0.128 0.000 0.812 161 Q CB 2.211 30.921 28.738 -0.047 0.000 1.353 161 Q HN 0.690 nan 8.270 nan 0.000 0.438 162 Y N 1.568 121.645 120.300 -0.372 0.000 2.362 162 Y HA 0.344 4.894 4.550 -0.000 0.000 0.326 162 Y C -1.652 173.951 175.900 -0.494 0.000 1.083 162 Y CA -0.593 57.363 58.100 -0.240 0.000 1.073 162 Y CB 1.274 39.647 38.460 -0.145 0.000 1.211 162 Y HN 0.662 nan 8.280 nan 0.000 0.433 163 H N 5.654 124.569 119.070 -0.258 0.000 2.823 163 H HA 0.712 5.268 4.556 -0.000 0.000 0.332 163 H C -1.348 173.851 175.328 -0.214 0.000 0.980 163 H CA -0.648 55.292 56.048 -0.180 0.000 1.286 163 H CB 1.827 31.571 29.762 -0.029 0.000 1.541 163 H HN 0.426 nan 8.280 nan 0.000 0.521 164 V N 4.595 124.465 119.914 -0.073 0.000 2.888 164 V HA 0.438 4.558 4.120 -0.000 0.000 0.309 164 V C -0.741 175.570 176.094 0.362 0.000 1.114 164 V CA -1.046 61.292 62.300 0.063 0.000 0.940 164 V CB 2.076 33.842 31.823 -0.095 0.000 1.021 164 V HN 0.640 nan 8.190 nan 0.000 0.426 165 F N 1.541 121.685 119.950 0.324 0.000 2.613 165 F HA 1.035 5.562 4.527 -0.000 0.000 0.310 165 F C -0.449 175.649 175.800 0.498 0.000 1.085 165 F CA -1.044 57.204 58.000 0.414 0.000 0.945 165 F CB 1.788 40.951 39.000 0.271 0.000 1.298 165 F HN 0.779 nan 8.300 nan 0.000 0.455 166 A N 1.758 124.923 122.820 0.575 0.000 2.572 166 A HA 0.848 5.168 4.320 -0.000 0.000 0.295 166 A C -2.129 175.679 177.584 0.374 0.000 1.072 166 A CA -0.884 51.368 52.037 0.358 0.000 0.691 166 A CB 1.877 20.999 19.000 0.202 0.000 1.291 166 A HN 1.077 nan 8.150 nan 0.000 0.404 167 V N 0.666 120.752 119.914 0.286 0.000 2.623 167 V HA 0.867 4.987 4.120 -0.000 0.000 0.304 167 V C 0.408 176.581 176.094 0.131 0.000 1.054 167 V CA 0.359 62.783 62.300 0.206 0.000 0.882 167 V CB 1.677 33.660 31.823 0.268 0.000 1.002 167 V HN 1.770 nan 8.190 nan 0.000 0.424 168 G N 2.152 111.014 108.800 0.103 0.000 2.608 168 G HA2 0.545 4.505 3.960 -0.000 0.000 0.291 168 G HA3 0.545 4.505 3.960 -0.000 0.000 0.291 168 G C 0.189 175.163 174.900 0.123 0.000 1.425 168 G CA 0.110 45.256 45.100 0.077 0.000 0.787 168 G HN 0.945 nan 8.290 nan 0.000 0.484 169 G N -1.172 107.681 108.800 0.088 0.000 3.284 169 G HA2 0.514 4.474 3.960 -0.000 0.000 0.236 169 G HA3 0.514 4.474 3.960 -0.000 0.000 0.236 169 G C 0.180 175.144 174.900 0.107 0.000 1.158 169 G CA 0.191 45.374 45.100 0.138 0.000 0.774 169 G HN 0.521 nan 8.290 nan 0.000 0.545 170 E N -0.767 119.369 120.200 -0.106 0.000 2.430 170 E HA 0.317 4.667 4.350 -0.000 0.000 0.279 170 E C -2.887 173.123 176.600 -0.985 0.000 1.003 170 E CA -1.958 54.149 56.400 -0.488 0.000 0.801 170 E CB 2.525 32.056 29.700 -0.281 0.000 1.313 170 E HN -0.128 nan 8.360 nan 0.000 0.459 171 P HA -0.001 nan 4.420 nan 0.000 0.269 171 P C -0.836 176.132 177.300 -0.554 0.000 1.209 171 P CA -0.400 62.115 63.100 -0.975 0.000 0.776 171 P CB 0.387 31.680 31.700 -0.679 0.000 0.876 172 L N 3.493 124.438 121.223 -0.464 0.000 2.513 172 L HA 0.059 4.399 4.340 -0.000 0.000 0.272 172 L C -0.021 176.574 176.870 -0.459 0.000 1.187 172 L CA 0.675 55.264 54.840 -0.419 0.000 0.895 172 L CB -0.531 41.224 42.059 -0.506 0.000 1.147 172 L HN 0.281 nan 8.230 nan 0.000 0.483 173 D N 6.166 126.359 120.400 -0.346 0.000 2.351 173 D HA 0.273 4.913 4.640 -0.000 0.000 0.251 173 D C -0.350 175.759 176.300 -0.318 0.000 1.137 173 D CA 0.250 54.071 54.000 -0.300 0.000 0.879 173 D CB 1.011 41.699 40.800 -0.186 0.000 1.181 173 D HN 0.450 nan 8.370 nan 0.000 0.448 174 L N 1.867 122.907 121.223 -0.306 0.000 2.334 174 L HA 0.356 4.696 4.340 -0.000 0.000 0.276 174 L C -0.040 176.873 176.870 0.071 0.000 1.014 174 L CA -0.918 53.812 54.840 -0.182 0.000 0.815 174 L CB 1.692 43.553 42.059 -0.331 0.000 1.268 174 L HN 0.160 nan 8.230 nan 0.000 0.428 175 Q N 1.343 121.260 119.800 0.196 0.000 2.333 175 Q HA 0.570 4.910 4.340 -0.000 0.000 0.268 175 Q C -0.459 175.723 176.000 0.304 0.000 1.007 175 Q CA -0.355 55.592 55.803 0.240 0.000 0.810 175 Q CB 2.092 30.919 28.738 0.148 0.000 1.264 175 Q HN 0.695 nan 8.270 nan 0.000 0.452 176 G N 3.094 112.012 108.800 0.196 0.000 2.444 176 G HA2 0.594 4.554 3.960 -0.000 0.000 0.268 176 G HA3 0.594 4.554 3.960 -0.000 0.000 0.268 176 G C -1.349 173.517 174.900 -0.056 0.000 1.203 176 G CA -0.461 44.485 45.100 -0.257 0.000 0.835 176 G HN 0.746 nan 8.290 nan 0.000 0.543 177 L N 2.011 123.218 121.223 -0.028 0.000 2.705 177 L HA 0.524 4.864 4.340 -0.000 0.000 0.260 177 L C -0.657 176.259 176.870 0.077 0.000 0.921 177 L CA -0.891 53.984 54.840 0.058 0.000 0.948 177 L CB 1.810 43.917 42.059 0.081 0.000 1.427 177 L HN 0.654 nan 8.230 nan 0.000 0.432 178 V N 0.241 120.158 119.914 0.006 0.000 3.113 178 V HA 0.589 4.709 4.120 -0.000 0.000 0.316 178 V C 0.715 176.819 176.094 0.018 0.000 1.125 178 V CA 0.028 62.344 62.300 0.027 0.000 1.026 178 V CB 1.441 33.293 31.823 0.050 0.000 1.080 178 V HN 0.738 nan 8.190 nan 0.000 0.444 179 T N 0.498 115.068 114.554 0.028 0.000 2.812 179 T HA 0.021 4.371 4.350 -0.000 0.000 0.264 179 T C 0.253 174.954 174.700 0.000 0.000 1.042 179 T CA 2.080 64.186 62.100 0.010 0.000 1.140 179 T CB -0.249 68.631 68.868 0.020 0.000 0.870 179 T HN 0.893 nan 8.240 nan 0.000 0.445 180 D N -0.747 119.654 120.400 0.001 0.000 2.686 180 D HA 0.543 5.183 4.640 -0.000 0.000 0.249 180 D C 0.340 176.628 176.300 -0.019 0.000 1.260 180 D CA -0.411 53.577 54.000 -0.020 0.000 0.910 180 D CB 1.593 42.367 40.800 -0.044 0.000 1.323 180 D HN 0.053 nan 8.370 nan 0.000 0.561 181 A N 3.923 126.735 122.820 -0.014 0.000 2.121 181 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 181 A C 1.716 179.286 177.584 -0.023 0.000 1.154 181 A CA 0.894 52.927 52.037 -0.007 0.000 0.679 181 A CB -0.072 18.924 19.000 -0.007 0.000 0.795 181 A HN 0.578 nan 8.150 nan 0.000 0.458 182 R N -0.456 120.017 120.500 -0.045 0.000 2.297 182 R HA 0.050 4.390 4.340 -0.000 0.000 0.197 182 R C -0.056 176.178 176.300 -0.110 0.000 0.943 182 R CA 0.269 56.333 56.100 -0.060 0.000 1.038 182 R CB -0.246 30.023 30.300 -0.053 0.000 0.957 182 R HN 0.287 nan 8.270 nan 0.000 0.484 183 T N 2.324 116.776 114.554 -0.171 0.000 2.908 183 T HA -0.000 4.350 4.350 -0.000 0.000 0.301 183 T C 0.256 174.725 174.700 -0.386 0.000 1.019 183 T CA 0.588 62.479 62.100 -0.349 0.000 1.152 183 T CB 0.551 69.067 68.868 -0.588 0.000 0.966 183 T HN 0.077 nan 8.240 nan 0.000 0.540 184 K N 3.867 124.073 120.400 -0.322 0.000 2.265 184 K HA 0.191 4.511 4.320 -0.000 0.000 0.242 184 K C -0.673 175.824 176.600 -0.172 0.000 1.137 184 K CA -0.317 55.857 56.287 -0.187 0.000 1.082 184 K CB 0.102 32.541 32.500 -0.103 0.000 1.731 184 K HN 0.513 nan 8.250 nan 0.000 0.392 185 Y N 1.571 121.867 120.300 -0.007 0.000 2.480 185 Y HA -0.005 4.545 4.550 -0.000 0.000 0.338 185 Y C 1.088 176.990 175.900 0.004 0.000 1.220 185 Y CA -0.241 57.858 58.100 0.000 0.000 1.430 185 Y CB 0.423 38.881 38.460 -0.004 0.000 1.311 185 Y HN 0.121 nan 8.280 nan 0.000 0.575 186 K N 2.442 122.946 120.400 0.174 0.000 2.414 186 K HA -0.048 4.272 4.320 -0.000 0.000 0.272 186 K C 0.685 177.338 176.600 0.089 0.000 0.993 186 K CA 0.181 56.526 56.287 0.098 0.000 0.964 186 K CB 0.478 33.025 32.500 0.078 0.000 0.925 186 K HN 0.801 nan 8.250 nan 0.000 0.487 187 E N 1.319 121.555 120.200 0.059 0.000 2.230 187 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 187 E C -0.280 176.336 176.600 0.028 0.000 0.987 187 E CA 0.806 57.233 56.400 0.045 0.000 0.841 187 E CB 0.332 30.053 29.700 0.035 0.000 0.783 187 E HN 0.506 nan 8.360 nan 0.000 0.481 188 E N -0.875 119.341 120.200 0.026 0.000 2.195 188 E HA 0.417 4.767 4.350 -0.000 0.000 0.271 188 E C 0.219 176.829 176.600 0.017 0.000 0.923 188 E CA -0.108 56.301 56.400 0.015 0.000 0.790 188 E CB 1.906 31.614 29.700 0.014 0.000 1.155 188 E HN 0.146 nan 8.360 nan 0.000 0.402 189 G N 1.137 109.940 108.800 0.005 0.000 2.279 189 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.223 189 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.223 189 G C 0.074 174.972 174.900 -0.002 0.000 1.015 189 G CA 0.081 45.187 45.100 0.010 0.000 0.621 189 G HN 0.713 nan 8.290 nan 0.000 0.506 190 V N -1.789 118.114 119.914 -0.018 0.000 2.925 190 V HA 0.874 4.994 4.120 -0.000 0.000 0.311 190 V C 0.007 176.037 176.094 -0.107 0.000 1.104 190 V CA -1.216 61.053 62.300 -0.053 0.000 0.954 190 V CB 2.160 33.971 31.823 -0.020 0.000 1.022 190 V HN 0.627 nan 8.190 nan 0.000 0.427 191 V N 3.437 123.213 119.914 -0.230 0.000 2.364 191 V HA 0.648 4.768 4.120 -0.000 0.000 0.272 191 V C 0.757 176.864 176.094 0.022 0.000 1.036 191 V CA 0.642 62.770 62.300 -0.288 0.000 0.880 191 V CB 0.918 32.206 31.823 -0.891 0.000 0.991 191 V HN 1.276 nan 8.190 nan 0.000 0.460 192 T N 1.785 116.403 114.554 0.106 0.000 2.807 192 T HA 0.574 4.924 4.350 -0.000 0.000 0.277 192 T C 1.192 176.063 174.700 0.284 0.000 1.006 192 T CA -0.716 61.463 62.100 0.131 0.000 1.006 192 T CB 1.244 70.046 68.868 -0.110 0.000 1.274 192 T HN 0.174 nan 8.240 nan 0.000 0.569 193 I N 0.485 121.075 120.570 0.032 0.000 2.208 193 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 193 I C 2.801 178.993 176.117 0.124 0.000 1.097 193 I CA 1.529 62.876 61.300 0.079 0.000 1.363 193 I CB -0.359 37.580 38.000 -0.102 0.000 1.051 193 I HN 0.743 nan 8.210 nan 0.000 0.413 194 K N 0.719 121.170 120.400 0.085 0.000 2.097 194 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 194 K C 2.017 178.661 176.600 0.074 0.000 1.049 194 K CA 1.765 58.096 56.287 0.074 0.000 0.933 194 K CB -0.047 32.494 32.500 0.067 0.000 0.717 194 K HN 0.224 nan 8.250 nan 0.000 0.442 195 T N 1.778 116.380 114.554 0.081 0.000 2.737 195 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 195 T C 1.697 176.432 174.700 0.058 0.000 1.040 195 T CA 1.264 63.395 62.100 0.052 0.000 1.142 195 T CB -0.040 68.842 68.868 0.024 0.000 0.861 195 T HN 0.143 nan 8.240 nan 0.000 0.456 196 I N 1.853 122.488 120.570 0.108 0.000 2.296 196 I HA -0.045 4.125 4.170 -0.000 0.000 0.242 196 I C 2.924 179.087 176.117 0.077 0.000 1.087 196 I CA 1.662 63.021 61.300 0.099 0.000 1.393 196 I CB -1.844 36.262 38.000 0.176 0.000 1.093 196 I HN 0.384 nan 8.210 nan 0.000 0.421 197 T N -2.040 112.566 114.554 0.086 0.000 3.067 197 T HA -0.028 4.322 4.350 -0.000 0.000 0.261 197 T C 0.979 175.705 174.700 0.043 0.000 1.110 197 T CA 0.245 62.382 62.100 0.061 0.000 1.113 197 T CB 0.072 68.976 68.868 0.061 0.000 0.917 197 T HN 0.133 nan 8.240 nan 0.000 0.499 198 K N 0.217 120.643 120.400 0.043 0.000 3.341 198 K HA -0.113 4.207 4.320 -0.000 0.000 0.305 198 K C -0.352 176.266 176.600 0.029 0.000 1.270 198 K CA 0.967 57.273 56.287 0.032 0.000 0.897 198 K CB -2.016 30.498 32.500 0.024 0.000 1.264 198 K HN 0.596 nan 8.250 nan 0.000 0.468 199 K N 0.293 120.713 120.400 0.033 0.000 2.512 199 K HA 0.312 4.632 4.320 -0.000 0.000 0.263 199 K C -0.657 175.962 176.600 0.031 0.000 0.966 199 K CA -1.033 55.270 56.287 0.028 0.000 0.851 199 K CB 1.688 34.202 32.500 0.024 0.000 1.395 199 K HN -0.145 nan 8.250 nan 0.000 0.440 200 D N 1.533 121.948 120.400 0.025 0.000 2.368 200 D HA 0.063 4.703 4.640 -0.000 0.000 0.240 200 D C 0.352 176.666 176.300 0.023 0.000 1.169 200 D CA 0.465 54.480 54.000 0.025 0.000 0.906 200 D CB 0.586 41.396 40.800 0.016 0.000 1.187 200 D HN 0.253 nan 8.370 nan 0.000 0.435 201 M N 0.765 120.380 119.600 0.025 0.000 2.245 201 M HA 0.089 4.569 4.480 -0.000 0.000 0.330 201 M C 0.293 176.598 176.300 0.009 0.000 1.098 201 M CA -0.180 55.130 55.300 0.017 0.000 1.172 201 M CB 0.773 33.385 32.600 0.019 0.000 1.467 201 M HN 0.163 nan 8.290 nan 0.000 0.454 202 V N 0.136 120.053 119.914 0.005 0.000 3.096 202 V HA 0.394 4.514 4.120 -0.000 0.000 0.319 202 V C 0.837 176.931 176.094 -0.001 0.000 1.103 202 V CA -0.794 61.508 62.300 0.003 0.000 1.016 202 V CB 1.341 33.167 31.823 0.005 0.000 1.090 202 V HN 0.960 nan 8.190 nan 0.000 0.449 203 N N 0.917 119.615 118.700 -0.002 0.000 2.289 203 N HA -0.203 4.537 4.740 -0.000 0.000 0.184 203 N C 1.226 176.733 175.510 -0.004 0.000 1.016 203 N CA 1.809 54.856 53.050 -0.004 0.000 0.872 203 N CB -0.585 37.900 38.487 -0.004 0.000 0.973 203 N HN 0.849 nan 8.380 nan 0.000 0.433 204 K N 0.051 120.450 120.400 -0.001 0.000 2.362 204 K HA -0.045 4.275 4.320 -0.000 0.000 0.200 204 K C 0.670 177.268 176.600 -0.003 0.000 1.046 204 K CA 0.974 57.261 56.287 -0.001 0.000 0.952 204 K CB 0.059 32.561 32.500 0.003 0.000 0.753 204 K HN 0.191 nan 8.250 nan 0.000 0.466 205 D N 1.124 121.520 120.400 -0.006 0.000 2.348 205 D HA -0.105 4.535 4.640 -0.000 0.000 0.216 205 D C 1.323 177.613 176.300 -0.016 0.000 0.970 205 D CA 0.934 54.924 54.000 -0.016 0.000 0.889 205 D CB 0.181 40.967 40.800 -0.024 0.000 0.912 205 D HN 0.331 nan 8.370 nan 0.000 0.524 206 Q N 0.016 119.810 119.800 -0.011 0.000 2.425 206 Q HA 0.057 4.397 4.340 -0.000 0.000 0.204 206 Q C 1.112 177.102 176.000 -0.017 0.000 0.933 206 Q CA 0.184 55.979 55.803 -0.013 0.000 0.939 206 Q CB 0.911 29.642 28.738 -0.011 0.000 1.044 206 Q HN 0.230 nan 8.270 nan 0.000 0.513 207 V N -3.481 116.426 119.914 -0.013 0.000 3.998 207 V HA 0.434 4.554 4.120 -0.000 0.000 0.297 207 V C -0.542 175.548 176.094 -0.006 0.000 1.378 207 V CA -1.204 61.088 62.300 -0.013 0.000 0.949 207 V CB 0.730 32.547 31.823 -0.009 0.000 1.258 207 V HN 0.018 nan 8.190 nan 0.000 0.471 208 L N 2.535 123.758 121.223 0.000 0.000 2.261 208 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 208 L C -0.614 176.264 176.870 0.015 0.000 1.059 208 L CA -0.040 54.807 54.840 0.011 0.000 0.816 208 L CB 0.463 42.530 42.059 0.013 0.000 1.191 208 L HN 0.875 nan 8.230 nan 0.000 0.431 209 N N 6.290 125.002 118.700 0.020 0.000 2.518 209 N HA 0.382 5.122 4.740 -0.000 0.000 0.254 209 N C -2.102 173.428 175.510 0.033 0.000 0.979 209 N CA -2.265 50.798 53.050 0.021 0.000 0.930 209 N CB 1.866 40.362 38.487 0.016 0.000 1.152 209 N HN 0.208 nan 8.380 nan 0.000 0.505 210 P HA -0.105 nan 4.420 nan 0.000 0.217 210 P C 1.234 178.560 177.300 0.043 0.000 1.148 210 P CA 1.105 64.226 63.100 0.034 0.000 0.834 210 P CB 0.340 32.054 31.700 0.023 0.000 0.783 211 I N -1.599 118.995 120.570 0.041 0.000 2.286 211 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 211 I C 0.644 176.807 176.117 0.077 0.000 1.115 211 I CA 1.050 62.379 61.300 0.048 0.000 1.392 211 I CB -0.518 37.505 38.000 0.038 0.000 1.065 211 I HN -0.164 nan 8.210 nan 0.000 0.418 212 S N 3.147 118.900 115.700 0.088 0.000 3.517 212 S HA 0.226 4.696 4.470 -0.000 0.000 0.284 212 S C -0.100 174.659 174.600 0.264 0.000 1.260 212 S CA -0.034 58.254 58.200 0.147 0.000 0.975 212 S CB -0.423 62.811 63.200 0.056 0.000 1.540 212 S HN 0.215 nan 8.310 nan 0.000 0.506 213 K N 1.319 121.875 120.400 0.259 0.000 2.435 213 K HA 0.872 5.192 4.320 -0.000 0.000 0.251 213 K C -0.524 176.113 176.600 0.062 0.000 0.954 213 K CA -0.803 55.610 56.287 0.209 0.000 0.820 213 K CB 2.304 34.848 32.500 0.073 0.000 1.292 213 K HN 0.437 nan 8.250 nan 0.000 0.436 214 A N 1.434 124.147 122.820 -0.179 0.000 2.515 214 A HA 0.662 4.982 4.320 -0.000 0.000 0.299 214 A C -1.752 175.557 177.584 -0.460 0.000 1.179 214 A CA -0.834 50.958 52.037 -0.409 0.000 0.656 214 A CB 1.434 19.916 19.000 -0.863 0.000 1.306 214 A HN 0.575 nan 8.150 nan 0.000 0.459 215 K N -0.093 119.999 120.400 -0.513 0.000 2.427 215 K HA 0.481 4.801 4.320 -0.000 0.000 0.252 215 K C -1.404 174.706 176.600 -0.816 0.000 0.931 215 K CA -0.817 55.138 56.287 -0.553 0.000 0.793 215 K CB 2.304 34.579 32.500 -0.375 0.000 1.211 215 K HN 0.435 nan 8.250 nan 0.000 0.426 216 L N 4.721 125.415 121.223 -0.880 0.000 2.451 216 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 216 L C 0.004 176.556 176.870 -0.529 0.000 1.258 216 L CA 0.536 54.788 54.840 -0.980 0.000 1.132 216 L CB -0.700 40.840 42.059 -0.865 0.000 1.361 216 L HN 0.623 nan 8.230 nan 0.000 0.438 217 D N 0.809 120.969 120.400 -0.400 0.000 2.369 217 D HA 0.077 4.717 4.640 -0.000 0.000 0.211 217 D C -0.149 176.162 176.300 0.018 0.000 1.077 217 D CA 0.177 54.111 54.000 -0.110 0.000 0.842 217 D CB 0.162 40.917 40.800 -0.075 0.000 0.947 217 D HN 0.384 nan 8.370 nan 0.000 0.509 218 K N -0.015 120.432 120.400 0.078 0.000 2.464 218 K HA 0.348 4.668 4.320 -0.000 0.000 0.253 218 K C -1.572 175.124 176.600 0.159 0.000 0.933 218 K CA -0.885 55.485 56.287 0.139 0.000 0.801 218 K CB 2.394 35.003 32.500 0.182 0.000 1.271 218 K HN -0.160 nan 8.250 nan 0.000 0.430 219 D N 0.356 120.826 120.400 0.117 0.000 2.302 219 D HA 0.301 4.941 4.640 -0.000 0.000 0.248 219 D C 0.721 177.112 176.300 0.152 0.000 1.094 219 D CA 0.740 54.819 54.000 0.132 0.000 0.897 219 D CB 0.818 41.672 40.800 0.089 0.000 1.200 219 D HN 0.659 nan 8.370 nan 0.000 0.429 220 G N 3.490 112.400 108.800 0.183 0.000 2.305 220 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.287 220 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.287 220 G C 0.627 175.612 174.900 0.141 0.000 1.036 220 G CA 0.683 45.881 45.100 0.163 0.000 0.887 220 G HN 0.423 nan 8.290 nan 0.000 0.505 221 M N -2.283 117.425 119.600 0.180 0.000 2.180 221 M HA 0.273 4.753 4.480 -0.000 0.000 0.289 221 M C 0.014 176.308 176.300 -0.010 0.000 1.089 221 M CA 0.255 55.586 55.300 0.051 0.000 1.120 221 M CB 0.362 32.937 32.600 -0.041 0.000 1.864 221 M HN 0.178 nan 8.290 nan 0.000 0.636 222 Y N 2.189 122.562 120.300 0.123 0.000 2.454 222 Y HA 0.395 4.945 4.550 -0.000 0.000 0.345 222 Y C -2.099 174.024 175.900 0.372 0.000 0.970 222 Y CA -2.686 55.549 58.100 0.225 0.000 1.204 222 Y CB 0.010 38.483 38.460 0.022 0.000 1.122 222 Y HN -0.009 nan 8.280 nan 0.000 0.514 223 P HA -0.073 nan 4.420 nan 0.000 0.267 223 P C 0.944 178.332 177.300 0.147 0.000 1.205 223 P CA 0.153 63.337 63.100 0.140 0.000 0.765 223 P CB 0.911 32.571 31.700 -0.067 0.000 0.828 224 V N 2.203 122.087 119.914 -0.050 0.000 2.970 224 V HA -0.178 3.942 4.120 -0.000 0.000 0.260 224 V C 1.375 177.347 176.094 -0.203 0.000 1.100 224 V CA 1.744 63.932 62.300 -0.187 0.000 1.122 224 V CB -1.439 30.116 31.823 -0.446 0.000 0.721 224 V HN 0.591 nan 8.190 nan 0.000 0.483 225 E N 0.184 120.280 120.200 -0.174 0.000 2.502 225 E HA 0.109 4.459 4.350 -0.000 0.000 0.194 225 E C 1.673 178.207 176.600 -0.110 0.000 1.062 225 E CA 0.830 57.169 56.400 -0.102 0.000 0.867 225 E CB -0.043 29.644 29.700 -0.021 0.000 0.888 225 E HN 0.669 nan 8.360 nan 0.000 0.510 226 I N -1.122 119.269 120.570 -0.297 0.000 3.673 226 I HA 0.164 4.334 4.170 -0.000 0.000 0.281 226 I C 0.212 175.809 176.117 -0.867 0.000 1.182 226 I CA -0.271 60.683 61.300 -0.575 0.000 1.391 226 I CB 0.335 37.809 38.000 -0.878 0.000 1.383 226 I HN 0.047 nan 8.210 nan 0.000 0.456 227 W N 2.670 123.753 121.300 -0.362 0.000 2.391 227 W HA 0.438 5.098 4.660 -0.000 0.000 0.311 227 W C -0.179 176.112 176.519 -0.380 0.000 1.087 227 W CA -0.405 56.751 57.345 -0.314 0.000 1.209 227 W CB 0.615 30.074 29.460 -0.001 0.000 1.273 227 W HN -0.028 nan 8.180 nan 0.000 0.482 228 H N 1.863 121.161 119.070 0.379 0.000 2.679 228 H HA 0.358 4.914 4.556 -0.000 0.000 0.367 228 H C -2.381 172.977 175.328 0.049 0.000 1.162 228 H CA -2.627 53.586 56.048 0.275 0.000 1.181 228 H CB 1.322 31.176 29.762 0.153 0.000 1.693 228 H HN -0.037 nan 8.280 nan 0.000 0.538 229 P HA -0.080 nan 4.420 nan 0.000 0.264 229 P C -0.005 177.119 177.300 -0.293 0.000 1.193 229 P CA 0.265 63.073 63.100 -0.488 0.000 0.763 229 P CB 0.505 31.444 31.700 -1.268 0.000 0.810 230 D N 5.139 125.406 120.400 -0.223 0.000 2.365 230 D HA 0.082 4.722 4.640 -0.000 0.000 0.237 230 D C -1.303 175.009 176.300 0.020 0.000 1.190 230 D CA -2.347 51.617 54.000 -0.060 0.000 0.867 230 D CB 0.604 41.374 40.800 -0.049 0.000 1.050 230 D HN 0.207 nan 8.370 nan 0.000 0.491 231 P HA -0.074 nan 4.420 nan 0.000 0.223 231 P C 0.846 178.189 177.300 0.071 0.000 1.151 231 P CA 0.441 63.630 63.100 0.149 0.000 0.787 231 P CB 0.298 32.076 31.700 0.130 0.000 0.788 232 A N -0.683 122.162 122.820 0.041 0.000 2.167 232 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 232 A C 1.561 179.148 177.584 0.006 0.000 1.151 232 A CA 0.956 53.004 52.037 0.019 0.000 0.735 232 A CB -0.416 18.593 19.000 0.014 0.000 0.802 232 A HN 0.209 nan 8.150 nan 0.000 0.467 233 K N -2.365 118.038 120.400 0.006 0.000 1.908 233 K HA 0.319 4.639 4.320 -0.000 0.000 0.286 233 K C -0.441 176.158 176.600 -0.003 0.000 0.951 233 K CA -0.715 55.563 56.287 -0.015 0.000 0.966 233 K CB 0.278 32.753 32.500 -0.042 0.000 3.230 233 K HN 0.038 nan 8.250 nan 0.000 1.118 234 N N 1.766 120.450 118.700 -0.028 0.000 2.727 234 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 234 N C 0.176 175.674 175.510 -0.019 0.000 1.048 234 N CA 0.757 53.800 53.050 -0.011 0.000 0.714 234 N CB -0.677 37.871 38.487 0.102 0.000 0.959 234 N HN 0.464 nan 8.380 nan 0.000 0.544 235 E N 0.324 120.503 120.200 -0.035 0.000 2.268 235 E HA 0.019 4.369 4.350 -0.000 0.000 0.195 235 E C 0.842 177.420 176.600 -0.037 0.000 0.995 235 E CA 0.944 57.321 56.400 -0.037 0.000 0.836 235 E CB 0.054 29.732 29.700 -0.036 0.000 0.763 235 E HN 0.317 nan 8.360 nan 0.000 0.491 236 N N -0.581 118.096 118.700 -0.038 0.000 2.401 236 N HA 0.148 4.888 4.740 -0.000 0.000 0.264 236 N C -1.529 173.971 175.510 -0.017 0.000 1.238 236 N CA 0.041 53.076 53.050 -0.025 0.000 0.889 236 N CB 0.897 39.369 38.487 -0.025 0.000 1.196 236 N HN -0.143 nan 8.380 nan 0.000 0.511 237 T N 0.035 114.575 114.554 -0.023 0.000 2.933 237 T HA 0.468 4.818 4.350 -0.000 0.000 0.305 237 T C -1.055 173.616 174.700 -0.049 0.000 1.092 237 T CA -0.711 61.386 62.100 -0.006 0.000 1.008 237 T CB 1.796 70.661 68.868 -0.004 0.000 1.102 237 T HN -0.127 nan 8.240 nan 0.000 0.469 238 R N 2.479 122.944 120.500 -0.058 0.000 2.393 238 R HA 0.508 4.848 4.340 -0.000 0.000 0.315 238 R C -1.226 174.868 176.300 -0.342 0.000 0.952 238 R CA -0.775 55.153 56.100 -0.285 0.000 0.842 238 R CB 0.815 31.036 30.300 -0.131 0.000 1.163 238 R HN 0.805 nan 8.270 nan 0.000 0.450 239 Y N 0.019 119.952 120.300 -0.611 0.000 2.485 239 Y HA 0.807 5.357 4.550 -0.000 0.000 0.345 239 Y C -1.096 174.261 175.900 -0.904 0.000 0.998 239 Y CA -1.860 55.922 58.100 -0.529 0.000 1.059 239 Y CB 1.386 39.710 38.460 -0.226 0.000 1.234 239 Y HN 0.300 nan 8.280 nan 0.000 0.461 240 F N 1.506 121.276 119.950 -0.301 0.000 2.562 240 F HA 0.775 5.302 4.527 -0.000 0.000 0.319 240 F C 0.195 175.921 175.800 -0.123 0.000 1.154 240 F CA -1.087 56.734 58.000 -0.299 0.000 0.931 240 F CB 2.296 40.955 39.000 -0.568 0.000 1.198 240 F HN 0.946 nan 8.300 nan 0.000 0.444 241 G N 1.980 110.882 108.800 0.170 0.000 2.619 241 G HA2 0.656 4.616 3.960 -0.000 0.000 0.296 241 G HA3 0.656 4.616 3.960 -0.000 0.000 0.296 241 G C -1.870 173.101 174.900 0.118 0.000 1.334 241 G CA -1.063 44.101 45.100 0.107 0.000 0.934 241 G HN 0.745 nan 8.290 nan 0.000 0.476 242 N N -1.343 117.408 118.700 0.084 0.000 2.331 242 N HA 0.601 5.341 4.740 -0.000 0.000 0.280 242 N C -1.729 173.916 175.510 0.225 0.000 1.155 242 N CA -0.957 52.189 53.050 0.161 0.000 0.822 242 N CB 2.285 40.864 38.487 0.154 0.000 1.619 242 N HN 0.644 nan 8.380 nan 0.000 0.476 243 Y N -0.084 120.311 120.300 0.159 0.000 2.492 243 Y HA 0.700 5.250 4.550 -0.000 0.000 0.346 243 Y C -1.643 174.347 175.900 0.151 0.000 0.997 243 Y CA -0.423 57.809 58.100 0.221 0.000 1.025 243 Y CB 2.436 41.070 38.460 0.290 0.000 1.263 243 Y HN 0.692 nan 8.280 nan 0.000 0.454 244 T N 5.242 119.382 114.554 -0.690 0.000 2.949 244 T HA 0.531 4.881 4.350 -0.000 0.000 0.300 244 T C 0.134 174.335 174.700 -0.833 0.000 0.988 244 T CA -0.271 61.491 62.100 -0.562 0.000 0.993 244 T CB 1.118 69.869 68.868 -0.194 0.000 0.984 244 T HN 0.996 nan 8.240 nan 0.000 0.442 245 G N 1.178 109.555 108.800 -0.704 0.000 2.582 245 G HA2 0.777 4.737 3.960 -0.000 0.000 0.232 245 G HA3 0.777 4.737 3.960 -0.000 0.000 0.232 245 G C 0.440 175.326 174.900 -0.024 0.000 1.458 245 G CA 0.034 44.975 45.100 -0.265 0.000 1.062 245 G HN 1.265 nan 8.290 nan 0.000 0.566 246 G N -2.941 105.932 108.800 0.122 0.000 2.661 246 G HA2 0.245 4.205 3.960 -0.000 0.000 0.685 246 G HA3 0.245 4.205 3.960 -0.000 0.000 0.685 246 G C 0.652 175.713 174.900 0.270 0.000 1.298 246 G CA 0.683 45.871 45.100 0.148 0.000 0.855 246 G HN 1.665 nan 8.290 nan 0.000 0.560 247 T N -4.588 110.112 114.554 0.244 0.000 3.042 247 T HA 0.269 4.619 4.350 -0.000 0.000 0.245 247 T C 1.881 176.781 174.700 0.332 0.000 1.029 247 T CA 2.019 64.320 62.100 0.334 0.000 1.120 247 T CB 0.090 69.041 68.868 0.138 0.000 0.917 247 T HN 1.874 nan 8.240 nan 0.000 0.467 248 T N 0.265 114.937 114.554 0.196 0.000 3.200 248 T HA 0.268 4.618 4.350 -0.000 0.000 0.284 248 T C 0.262 175.027 174.700 0.108 0.000 1.009 248 T CA -0.398 61.793 62.100 0.152 0.000 0.907 248 T CB -0.366 68.563 68.868 0.102 0.000 1.120 248 T HN 0.245 nan 8.240 nan 0.000 0.534 249 T N 5.108 119.722 114.554 0.100 0.000 2.905 249 T HA 0.194 4.544 4.350 -0.000 0.000 0.299 249 T C -2.540 172.188 174.700 0.046 0.000 1.024 249 T CA -0.460 61.674 62.100 0.056 0.000 1.151 249 T CB 0.246 69.133 68.868 0.030 0.000 0.987 249 T HN 0.183 nan 8.240 nan 0.000 0.535 250 P HA 0.228 nan 4.420 nan 0.000 0.267 250 P C -2.417 174.901 177.300 0.030 0.000 1.205 250 P CA -1.212 61.910 63.100 0.035 0.000 0.765 250 P CB -0.158 31.560 31.700 0.030 0.000 0.828 251 P HA 0.166 nan 4.420 nan 0.000 0.276 251 P C -0.826 176.498 177.300 0.039 0.000 1.230 251 P CA 0.174 63.297 63.100 0.038 0.000 0.776 251 P CB 0.648 32.372 31.700 0.040 0.000 0.888 252 V N 4.522 124.461 119.914 0.041 0.000 2.656 252 V HA 0.629 4.749 4.120 -0.000 0.000 0.307 252 V C -0.510 175.589 176.094 0.008 0.000 1.051 252 V CA -0.533 61.782 62.300 0.025 0.000 0.893 252 V CB 1.913 33.745 31.823 0.014 0.000 0.999 252 V HN 0.371 nan 8.190 nan 0.000 0.426 253 L N 3.827 125.057 121.223 0.011 0.000 2.545 253 L HA 0.662 5.002 4.340 -0.000 0.000 0.258 253 L C -1.124 175.779 176.870 0.055 0.000 0.942 253 L CA -0.046 54.789 54.840 -0.007 0.000 0.855 253 L CB 2.531 44.592 42.059 0.002 0.000 1.374 253 L HN 0.699 nan 8.230 nan 0.000 0.411 254 Q N 2.979 122.787 119.800 0.013 0.000 2.348 254 Q HA 0.840 5.180 4.340 -0.000 0.000 0.271 254 Q C -1.631 174.408 176.000 0.064 0.000 1.067 254 Q CA -0.179 55.594 55.803 -0.050 0.000 0.839 254 Q CB 2.329 31.002 28.738 -0.108 0.000 1.354 254 Q HN 0.440 nan 8.270 nan 0.000 0.447 255 F N -2.106 117.785 119.950 -0.099 0.000 2.605 255 F HA 0.830 5.357 4.527 -0.000 0.000 0.320 255 F C -0.804 174.941 175.800 -0.092 0.000 1.159 255 F CA -0.741 57.194 58.000 -0.107 0.000 0.999 255 F CB 1.611 40.546 39.000 -0.108 0.000 1.258 255 F HN 0.396 nan 8.300 nan 0.000 0.464 256 T N 1.508 116.056 114.554 -0.009 0.000 2.942 256 T HA 0.288 4.638 4.350 -0.000 0.000 0.327 256 T C -0.710 173.973 174.700 -0.027 0.000 1.360 256 T CA -0.648 61.418 62.100 -0.056 0.000 1.055 256 T CB 1.234 70.036 68.868 -0.109 0.000 1.261 256 T HN 0.916 nan 8.240 nan 0.000 0.485 257 N N 1.571 120.254 118.700 -0.028 0.000 2.322 257 N HA 0.069 4.809 4.740 -0.000 0.000 0.216 257 N C 0.985 176.482 175.510 -0.023 0.000 1.144 257 N CA 0.414 53.449 53.050 -0.025 0.000 0.830 257 N CB 0.054 38.520 38.487 -0.034 0.000 1.034 257 N HN 0.658 nan 8.380 nan 0.000 0.484 258 T N -3.375 111.158 114.554 -0.034 0.000 3.044 258 T HA 0.258 4.608 4.350 -0.000 0.000 0.260 258 T C 0.107 174.787 174.700 -0.034 0.000 1.019 258 T CA -0.497 61.584 62.100 -0.031 0.000 0.921 258 T CB -0.070 68.776 68.868 -0.038 0.000 1.053 258 T HN 0.063 nan 8.240 nan 0.000 0.533 259 L N 2.595 123.792 121.223 -0.042 0.000 2.272 259 L HA 0.624 4.964 4.340 -0.000 0.000 0.289 259 L C -0.760 176.079 176.870 -0.051 0.000 1.032 259 L CA 0.004 54.813 54.840 -0.051 0.000 0.810 259 L CB 1.522 43.539 42.059 -0.069 0.000 1.205 259 L HN 0.051 nan 8.230 nan 0.000 0.422 260 T N 3.153 117.684 114.554 -0.039 0.000 2.794 260 T HA 0.430 4.780 4.350 -0.000 0.000 0.280 260 T C -0.240 174.436 174.700 -0.040 0.000 0.987 260 T CA -0.336 61.746 62.100 -0.030 0.000 0.993 260 T CB 0.961 69.825 68.868 -0.007 0.000 0.939 260 T HN 0.611 nan 8.240 nan 0.000 0.449 261 T N 3.332 117.857 114.554 -0.049 0.000 2.743 261 T HA 0.360 4.710 4.350 -0.000 0.000 0.292 261 T C 0.377 175.086 174.700 0.014 0.000 0.972 261 T CA -0.492 61.568 62.100 -0.066 0.000 0.967 261 T CB 0.595 69.381 68.868 -0.136 0.000 0.926 261 T HN 0.324 nan 8.240 nan 0.000 0.459 262 V N 5.606 125.543 119.914 0.037 0.000 2.555 262 V HA 0.151 4.271 4.120 -0.000 0.000 0.286 262 V C 1.145 177.326 176.094 0.145 0.000 1.044 262 V CA 0.053 62.400 62.300 0.078 0.000 1.026 262 V CB 0.765 32.628 31.823 0.065 0.000 0.981 262 V HN 0.857 nan 8.190 nan 0.000 0.480 263 L N 4.786 126.095 121.223 0.143 0.000 2.616 263 L HA 0.289 4.629 4.340 -0.000 0.000 0.229 263 L C 0.523 177.459 176.870 0.111 0.000 1.110 263 L CA 0.057 55.001 54.840 0.173 0.000 0.884 263 L CB 0.020 42.181 42.059 0.170 0.000 1.115 263 L HN 0.459 nan 8.230 nan 0.000 0.481 264 L N 1.495 122.770 121.223 0.087 0.000 2.453 264 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 264 L C 0.357 177.255 176.870 0.047 0.000 1.182 264 L CA -0.364 54.512 54.840 0.060 0.000 0.858 264 L CB 0.166 42.256 42.059 0.052 0.000 1.120 264 L HN 0.181 nan 8.230 nan 0.000 0.474 265 D N 1.948 122.364 120.400 0.028 0.000 2.440 265 D HA -0.033 4.607 4.640 -0.000 0.000 0.269 265 D C 1.046 177.354 176.300 0.012 0.000 1.249 265 D CA -0.489 53.517 54.000 0.010 0.000 1.055 265 D CB 0.290 41.086 40.800 -0.006 0.000 1.104 265 D HN 0.595 nan 8.370 nan 0.000 0.561 266 E N -0.050 120.152 120.200 0.003 0.000 2.209 266 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 266 E C 0.327 176.932 176.600 0.009 0.000 0.993 266 E CA 1.062 57.466 56.400 0.005 0.000 0.819 266 E CB -0.605 29.095 29.700 -0.001 0.000 0.745 266 E HN 0.428 nan 8.360 nan 0.000 0.477 267 N N 0.608 119.313 118.700 0.008 0.000 2.270 267 N HA 0.101 4.841 4.740 -0.000 0.000 0.198 267 N C 0.806 176.326 175.510 0.017 0.000 1.117 267 N CA 0.811 53.867 53.050 0.011 0.000 0.845 267 N CB 0.924 39.416 38.487 0.007 0.000 0.980 267 N HN 0.442 nan 8.380 nan 0.000 0.486 268 G N 0.222 109.034 108.800 0.021 0.000 2.143 268 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 268 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 268 G C -0.238 174.681 174.900 0.031 0.000 0.991 268 G CA 0.160 45.277 45.100 0.027 0.000 0.689 268 G HN 0.191 nan 8.290 nan 0.000 0.522 269 V N 0.464 120.395 119.914 0.028 0.000 2.384 269 V HA 0.790 4.910 4.120 -0.000 0.000 0.287 269 V C 1.052 177.166 176.094 0.033 0.000 1.020 269 V CA -0.087 62.230 62.300 0.030 0.000 0.850 269 V CB 1.418 33.254 31.823 0.022 0.000 0.987 269 V HN 0.657 nan 8.190 nan 0.000 0.436 270 G N 4.982 113.809 108.800 0.045 0.000 2.537 270 G HA2 0.603 4.563 3.960 -0.000 0.000 0.297 270 G HA3 0.603 4.563 3.960 -0.000 0.000 0.297 270 G C -2.868 172.062 174.900 0.049 0.000 1.310 270 G CA -1.703 43.429 45.100 0.054 0.000 1.027 270 G HN 0.545 nan 8.290 nan 0.000 0.505 271 P HA 0.183 nan 4.420 nan 0.000 0.265 271 P C -0.534 176.805 177.300 0.065 0.000 1.193 271 P CA 0.238 63.368 63.100 0.050 0.000 0.765 271 P CB 0.591 32.327 31.700 0.060 0.000 0.823 272 L N 3.020 124.275 121.223 0.053 0.000 2.317 272 L HA 0.398 4.738 4.340 -0.000 0.000 0.281 272 L C -0.198 176.722 176.870 0.083 0.000 1.024 272 L CA -0.779 54.101 54.840 0.068 0.000 0.810 272 L CB 1.619 43.700 42.059 0.035 0.000 1.240 272 L HN 0.325 nan 8.230 nan 0.000 0.427 273 C N 2.598 121.975 119.300 0.128 0.000 2.192 273 C HA 0.101 4.561 4.460 -0.000 0.000 0.337 273 C C 1.697 176.770 174.990 0.138 0.000 1.103 273 C CA -0.523 58.581 59.018 0.144 0.000 1.581 273 C CB -0.330 27.523 27.740 0.188 0.000 2.070 273 C HN 0.855 nan 8.230 nan 0.000 0.485 274 K N 2.010 122.473 120.400 0.106 0.000 2.228 274 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 274 K C 1.632 178.357 176.600 0.208 0.000 1.051 274 K CA 1.228 57.585 56.287 0.117 0.000 0.960 274 K CB 0.051 32.565 32.500 0.022 0.000 0.743 274 K HN 0.782 nan 8.250 nan 0.000 0.458 275 G N 0.016 108.915 108.800 0.165 0.000 3.453 275 G HA2 0.041 4.001 3.960 -0.000 0.000 0.263 275 G HA3 0.041 4.001 3.960 -0.000 0.000 0.263 275 G C -0.697 174.275 174.900 0.121 0.000 1.060 275 G CA -0.248 44.942 45.100 0.150 0.000 0.793 275 G HN 0.410 nan 8.290 nan 0.000 0.532 276 E N -1.019 119.266 120.200 0.142 0.000 2.539 276 E HA -0.167 4.183 4.350 -0.000 0.000 0.253 276 E C 0.690 177.315 176.600 0.041 0.000 1.145 276 E CA 0.347 56.828 56.400 0.135 0.000 0.738 276 E CB -1.267 28.527 29.700 0.156 0.000 1.308 276 E HN 0.482 nan 8.360 nan 0.000 0.409 277 G N 0.767 109.579 108.800 0.021 0.000 2.644 277 G HA2 0.533 4.493 3.960 -0.000 0.000 0.300 277 G HA3 0.533 4.493 3.960 -0.000 0.000 0.300 277 G C -0.902 173.909 174.900 -0.149 0.000 1.395 277 G CA -0.782 44.244 45.100 -0.123 0.000 0.964 277 G HN 0.047 nan 8.290 nan 0.000 0.511 278 L N 2.572 123.660 121.223 -0.226 0.000 2.305 278 L HA 0.644 4.984 4.340 -0.000 0.000 0.281 278 L C -1.205 175.486 176.870 -0.298 0.000 1.085 278 L CA -1.007 53.741 54.840 -0.154 0.000 0.813 278 L CB 0.366 42.327 42.059 -0.164 0.000 1.157 278 L HN 0.472 nan 8.230 nan 0.000 0.436 279 Y N 5.549 125.782 120.300 -0.112 0.000 2.331 279 Y HA 0.570 5.120 4.550 -0.000 0.000 0.338 279 Y C -0.419 175.381 175.900 -0.167 0.000 0.992 279 Y CA -0.553 57.465 58.100 -0.138 0.000 1.121 279 Y CB 1.317 39.703 38.460 -0.123 0.000 1.184 279 Y HN 0.398 nan 8.280 nan 0.000 0.469 280 L N 3.354 124.495 121.223 -0.136 0.000 2.322 280 L HA 0.690 5.030 4.340 -0.000 0.000 0.281 280 L C -0.463 176.333 176.870 -0.123 0.000 1.014 280 L CA -0.490 54.156 54.840 -0.323 0.000 0.815 280 L CB 1.747 43.309 42.059 -0.828 0.000 1.247 280 L HN 0.559 nan 8.230 nan 0.000 0.421 281 S N 1.576 117.320 115.700 0.073 0.000 2.549 281 S HA 0.827 5.297 4.470 -0.000 0.000 0.280 281 S C -0.796 174.127 174.600 0.538 0.000 1.109 281 S CA -0.712 57.633 58.200 0.243 0.000 0.905 281 S CB 2.266 65.516 63.200 0.083 0.000 1.081 281 S HN 0.871 nan 8.310 nan 0.000 0.477 282 C N -0.185 119.485 119.300 0.618 0.000 3.231 282 C HA 0.891 5.351 4.460 -0.000 0.000 0.343 282 C C -1.522 173.608 174.990 0.234 0.000 1.349 282 C CA -0.741 58.587 59.018 0.517 0.000 1.209 282 C CB 0.560 28.607 27.740 0.512 0.000 1.475 282 C HN 0.980 nan 8.230 nan 0.000 0.460 283 V N 1.281 121.190 119.914 -0.008 0.000 2.789 283 V HA 0.643 4.763 4.120 -0.000 0.000 0.300 283 V C -2.007 174.014 176.094 -0.122 0.000 1.184 283 V CA 0.089 62.290 62.300 -0.165 0.000 0.930 283 V CB 1.931 33.475 31.823 -0.464 0.000 1.041 283 V HN 1.032 nan 8.190 nan 0.000 0.430 284 D N 7.435 127.784 120.400 -0.085 0.000 2.378 284 D HA 0.406 5.046 4.640 -0.000 0.000 0.265 284 D C -0.383 175.807 176.300 -0.183 0.000 1.229 284 D CA 0.008 53.954 54.000 -0.090 0.000 0.914 284 D CB 1.704 42.580 40.800 0.127 0.000 1.140 284 D HN 0.488 nan 8.370 nan 0.000 0.516 285 I N 2.100 122.480 120.570 -0.316 0.000 2.342 285 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 285 I C 1.548 177.529 176.117 -0.228 0.000 1.010 285 I CA -0.356 60.810 61.300 -0.224 0.000 1.308 285 I CB 1.340 39.212 38.000 -0.214 0.000 1.400 285 I HN 0.114 nan 8.210 nan 0.000 0.488 286 M N 4.057 123.594 119.600 -0.105 0.000 2.492 286 M HA 0.300 4.780 4.480 -0.000 0.000 0.255 286 M C 0.909 177.166 176.300 -0.072 0.000 1.139 286 M CA 0.220 55.492 55.300 -0.045 0.000 1.096 286 M CB -0.455 32.126 32.600 -0.032 0.000 1.360 286 M HN 0.890 nan 8.290 nan 0.000 0.480 287 G N -0.878 107.845 108.800 -0.128 0.000 2.260 287 G HA2 0.014 3.974 3.960 -0.000 0.000 0.250 287 G HA3 0.014 3.974 3.960 -0.000 0.000 0.250 287 G C -1.958 172.777 174.900 -0.275 0.000 1.340 287 G CA -0.931 43.975 45.100 -0.324 0.000 1.056 287 G HN 0.225 nan 8.290 nan 0.000 0.471 288 W N 0.655 122.036 121.300 0.135 0.000 2.962 288 W HA 0.696 5.356 4.660 -0.000 0.000 0.341 288 W C 0.374 176.961 176.519 0.113 0.000 1.155 288 W CA -0.693 56.722 57.345 0.117 0.000 1.165 288 W CB 1.882 31.337 29.460 -0.007 0.000 1.435 288 W HN 0.948 nan 8.180 nan 0.000 0.546 289 R N 0.434 121.185 120.500 0.419 0.000 2.664 289 R HA 0.779 5.119 4.340 -0.000 0.000 0.286 289 R C -1.164 175.146 176.300 0.017 0.000 0.967 289 R CA -0.734 55.490 56.100 0.207 0.000 0.933 289 R CB 2.107 32.517 30.300 0.184 0.000 1.146 289 R HN 0.240 nan 8.270 nan 0.000 0.468 290 V N 0.368 120.210 119.914 -0.120 0.000 2.638 290 V HA 0.484 4.604 4.120 -0.000 0.000 0.306 290 V C 0.125 176.152 176.094 -0.113 0.000 1.052 290 V CA -0.257 61.910 62.300 -0.223 0.000 0.885 290 V CB 1.800 33.275 31.823 -0.580 0.000 0.999 290 V HN 1.092 nan 8.190 nan 0.000 0.424 291 T N 3.267 117.796 114.554 -0.042 0.000 2.726 291 T HA 0.340 4.690 4.350 -0.000 0.000 0.294 291 T C 0.841 175.480 174.700 -0.102 0.000 1.013 291 T CA -0.070 62.001 62.100 -0.048 0.000 0.996 291 T CB 0.534 69.429 68.868 0.046 0.000 1.016 291 T HN 0.831 nan 8.240 nan 0.000 0.529 292 R N 0.586 120.992 120.500 -0.157 0.000 2.310 292 R HA 0.179 4.519 4.340 -0.000 0.000 0.202 292 R C -0.013 176.181 176.300 -0.176 0.000 0.933 292 R CA -0.036 55.938 56.100 -0.209 0.000 1.054 292 R CB -0.059 30.024 30.300 -0.361 0.000 0.985 292 R HN 0.512 nan 8.270 nan 0.000 0.489 293 N N 0.737 119.357 118.700 -0.134 0.000 2.518 293 N HA 0.072 4.812 4.740 -0.000 0.000 0.254 293 N C -0.921 174.518 175.510 -0.118 0.000 0.979 293 N CA -0.470 52.441 53.050 -0.231 0.000 0.930 293 N CB 1.122 39.505 38.487 -0.174 0.000 1.152 293 N HN 0.023 nan 8.380 nan 0.000 0.505 294 Y N 0.156 120.447 120.300 -0.014 0.000 3.825 294 Y HA -0.276 4.274 4.550 -0.000 0.000 0.221 294 Y C 0.064 175.956 175.900 -0.013 0.000 1.195 294 Y CA 0.255 58.344 58.100 -0.017 0.000 1.699 294 Y CB -2.515 35.935 38.460 -0.016 0.000 1.531 294 Y HN 0.604 nan 8.280 nan 0.000 0.640 295 D N -2.447 118.008 120.400 0.091 0.000 2.737 295 D HA -0.156 4.484 4.640 -0.000 0.000 0.233 295 D C -0.101 176.279 176.300 0.133 0.000 1.155 295 D CA 1.062 55.104 54.000 0.070 0.000 0.667 295 D CB -1.006 39.849 40.800 0.092 0.000 1.060 295 D HN 0.280 nan 8.370 nan 0.000 0.427 296 V N 0.919 120.895 119.914 0.103 0.000 2.529 296 V HA 0.008 4.128 4.120 -0.000 0.000 0.292 296 V C 0.875 177.021 176.094 0.086 0.000 1.028 296 V CA 0.327 62.679 62.300 0.087 0.000 1.074 296 V CB 0.649 32.510 31.823 0.063 0.000 0.958 296 V HN 0.219 nan 8.190 nan 0.000 0.481 297 H N 3.649 122.588 119.070 -0.219 0.000 2.467 297 H HA 0.560 5.116 4.556 -0.000 0.000 0.331 297 H C -0.091 175.119 175.328 -0.196 0.000 1.120 297 H CA -0.335 55.579 56.048 -0.223 0.000 1.270 297 H CB 0.695 30.064 29.762 -0.654 0.000 1.466 297 H HN 0.650 nan 8.280 nan 0.000 0.504 298 H N 2.203 121.404 119.070 0.217 0.000 2.744 298 H HA 0.030 4.586 4.556 -0.000 0.000 0.339 298 H C -0.617 175.062 175.328 0.584 0.000 1.004 298 H CA -0.770 55.495 56.048 0.360 0.000 1.257 298 H CB 0.927 30.890 29.762 0.335 0.000 1.552 298 H HN 0.611 nan 8.280 nan 0.000 0.522 299 W N 2.316 124.007 121.300 0.653 0.000 2.158 299 W HA 0.156 4.816 4.660 0.000 0.000 0.339 299 W C 0.845 177.571 176.519 0.344 0.000 1.294 299 W CA -0.052 57.544 57.345 0.418 0.000 1.231 299 W CB 0.476 30.086 29.460 0.250 0.000 1.143 299 W HN 0.341 nan 8.180 nan 0.000 0.571 300 R N 1.798 122.500 120.500 0.336 0.000 2.480 300 R HA 0.678 5.018 4.340 -0.000 0.000 0.306 300 R C -0.471 175.729 176.300 -0.167 0.000 0.958 300 R CA -0.636 55.367 56.100 -0.162 0.000 0.861 300 R CB 1.084 31.162 30.300 -0.372 0.000 1.171 300 R HN 0.561 nan 8.270 nan 0.000 0.445 301 G N 3.096 111.734 108.800 -0.270 0.000 2.498 301 G HA2 0.688 4.648 3.960 -0.000 0.000 0.312 301 G HA3 0.688 4.648 3.960 -0.000 0.000 0.312 301 G C -1.472 173.291 174.900 -0.228 0.000 1.230 301 G CA -0.663 44.325 45.100 -0.186 0.000 0.968 301 G HN 0.446 nan 8.290 nan 0.000 0.481 302 L N 1.243 122.383 121.223 -0.138 0.000 2.354 302 L HA 0.525 4.865 4.340 -0.000 0.000 0.264 302 L C -2.103 174.729 176.870 -0.063 0.000 1.008 302 L CA -2.138 52.624 54.840 -0.130 0.000 0.819 302 L CB 3.271 45.262 42.059 -0.113 0.000 1.339 302 L HN 0.353 nan 8.230 nan 0.000 0.420 303 P HA 0.165 nan 4.420 nan 0.000 0.274 303 P C -1.412 175.913 177.300 0.040 0.000 1.231 303 P CA -0.473 62.645 63.100 0.030 0.000 0.790 303 P CB 1.282 32.997 31.700 0.026 0.000 0.951 304 R N 1.975 122.545 120.500 0.115 0.000 2.534 304 R HA 0.375 4.714 4.340 -0.000 0.000 0.301 304 R C -1.383 174.991 176.300 0.122 0.000 0.961 304 R CA -0.821 55.294 56.100 0.026 0.000 0.871 304 R CB 1.021 31.282 30.300 -0.065 0.000 1.170 304 R HN 0.484 nan 8.270 nan 0.000 0.446 305 Y N 4.317 124.541 120.300 -0.126 0.000 2.352 305 Y HA 0.510 5.060 4.550 -0.000 0.000 0.326 305 Y C -1.652 174.130 175.900 -0.197 0.000 1.166 305 Y CA -0.513 57.586 58.100 -0.002 0.000 1.182 305 Y CB 0.935 39.383 38.460 -0.021 0.000 1.216 305 Y HN 0.503 nan 8.280 nan 0.000 0.474 306 F N 4.322 123.802 119.950 -0.784 0.000 2.556 306 F HA 0.460 4.987 4.527 -0.000 0.000 0.314 306 F C -0.688 174.609 175.800 -0.838 0.000 1.106 306 F CA -1.034 56.603 58.000 -0.605 0.000 0.911 306 F CB 2.179 41.007 39.000 -0.287 0.000 1.190 306 F HN 0.368 nan 8.300 nan 0.000 0.448 307 K N 4.119 124.343 120.400 -0.293 0.000 2.664 307 K HA 0.600 4.920 4.320 -0.000 0.000 0.234 307 K C -1.775 174.805 176.600 -0.032 0.000 0.980 307 K CA -0.390 55.802 56.287 -0.157 0.000 0.996 307 K CB 0.626 33.127 32.500 0.000 0.000 1.190 307 K HN 0.542 nan 8.250 nan 0.000 0.479 308 I N 2.488 123.041 120.570 -0.028 0.000 2.365 308 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 308 I C 0.186 176.291 176.117 -0.021 0.000 1.004 308 I CA -0.127 61.171 61.300 -0.002 0.000 1.311 308 I CB 1.950 39.941 38.000 -0.014 0.000 1.401 308 I HN 0.410 nan 8.210 nan 0.000 0.491 309 T N 7.387 121.946 114.554 0.009 0.000 2.749 309 T HA 0.707 5.057 4.350 -0.000 0.000 0.287 309 T C -0.269 174.447 174.700 0.028 0.000 0.970 309 T CA -0.345 61.762 62.100 0.012 0.000 0.980 309 T CB 0.337 69.224 68.868 0.032 0.000 0.924 309 T HN 0.203 nan 8.240 nan 0.000 0.456 310 L N 3.741 124.974 121.223 0.018 0.000 2.323 310 L HA 0.781 5.121 4.340 -0.000 0.000 0.265 310 L C 0.144 177.174 176.870 0.266 0.000 1.012 310 L CA -1.062 53.839 54.840 0.102 0.000 0.820 310 L CB 1.851 43.891 42.059 -0.032 0.000 1.334 310 L HN 0.601 nan 8.230 nan 0.000 0.427 311 R N -0.091 120.625 120.500 0.361 0.000 2.774 311 R HA 0.634 4.974 4.340 -0.000 0.000 0.272 311 R C -1.468 174.915 176.300 0.139 0.000 1.000 311 R CA -1.104 55.167 56.100 0.286 0.000 0.906 311 R CB 1.660 32.033 30.300 0.122 0.000 1.227 311 R HN 0.342 nan 8.270 nan 0.000 0.468 312 K N 1.500 121.782 120.400 -0.196 0.000 2.249 312 K HA 0.261 4.581 4.320 -0.000 0.000 0.280 312 K C -0.429 175.966 176.600 -0.341 0.000 1.033 312 K CA -0.623 55.358 56.287 -0.510 0.000 0.946 312 K CB 1.174 33.217 32.500 -0.762 0.000 1.005 312 K HN 0.366 nan 8.250 nan 0.000 0.469 313 R N 2.215 122.528 120.500 -0.312 0.000 2.599 313 R HA 0.268 4.608 4.340 -0.000 0.000 0.295 313 R C -1.651 174.533 176.300 -0.195 0.000 0.963 313 R CA -0.496 55.497 56.100 -0.178 0.000 0.883 313 R CB 0.720 30.988 30.300 -0.053 0.000 1.171 313 R HN 0.521 nan 8.270 nan 0.000 0.450 314 W N 5.043 126.309 121.300 -0.057 0.000 2.287 314 W HA 0.401 5.061 4.660 -0.000 0.000 0.313 314 W C -0.123 176.374 176.519 -0.036 0.000 1.267 314 W CA -0.232 57.083 57.345 -0.049 0.000 1.201 314 W CB 1.292 30.729 29.460 -0.038 0.000 1.196 314 W HN 0.351 nan 8.180 nan 0.000 0.536 315 V N 0.981 121.034 119.914 0.233 0.000 3.007 315 V HA 0.571 4.691 4.120 -0.000 0.000 0.311 315 V C -0.735 175.423 176.094 0.107 0.000 1.120 315 V CA -1.820 60.551 62.300 0.118 0.000 0.980 315 V CB 1.800 33.650 31.823 0.045 0.000 1.033 315 V HN 0.279 nan 8.190 nan 0.000 0.429 316 K N 2.769 123.202 120.400 0.055 0.000 2.339 316 K HA 0.341 4.660 4.320 -0.000 0.000 0.286 316 K C 0.223 176.837 176.600 0.023 0.000 1.050 316 K CA 0.103 56.413 56.287 0.038 0.000 0.956 316 K CB 0.180 32.689 32.500 0.014 0.000 0.990 316 K HN 0.939 nan 8.250 nan 0.000 0.475 317 N N 5.257 123.987 118.700 0.051 0.000 2.047 317 N HA -0.122 4.618 4.740 -0.000 0.000 0.292 317 N C -1.934 173.565 175.510 -0.017 0.000 1.356 317 N CA -0.308 52.781 53.050 0.065 0.000 0.836 317 N CB 0.533 39.084 38.487 0.106 0.000 1.113 317 N HN 0.397 nan 8.380 nan 0.000 0.495 318 P HA 0.091 nan 4.420 nan 0.000 0.272 318 P C -0.985 176.110 177.300 -0.342 0.000 1.408 318 P CA -0.058 62.891 63.100 -0.253 0.000 0.996 318 P CB 0.006 31.505 31.700 -0.335 0.000 1.481 319 Y N 1.638 121.944 120.300 0.009 0.000 2.336 319 Y HA 0.362 4.912 4.550 -0.000 0.000 0.335 319 Y C -1.139 174.764 175.900 0.005 0.000 1.046 319 Y CA -2.053 56.052 58.100 0.007 0.000 1.198 319 Y CB -0.685 37.780 38.460 0.008 0.000 1.182 319 Y HN 0.014 nan 8.280 nan 0.000 0.502 320 P HA 0.000 nan 4.420 nan 0.000 0.216 320 P CA 0.000 63.148 63.100 0.079 0.000 0.800 320 P CB 0.000 31.738 31.700 0.063 0.000 0.726