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 2xgm_1_A DATA FIRST_RESID 57 DATA SEQUENCE PEAVARLGRV RWTQQRHAEA AVLLQQASDA APEHPGIALW LGHALEDAGQ DATA SEQUENCE AEAAAAAYTR AHQLLPEEPY ITAQLLNWRR RLCDWRALDV LSAQVRAAVA DATA SEQUENCE QGVGAVEPFA FLSEDASAAE QLACARTRAQ AIAASVRPLA PTRVRSKGPL DATA SEQUENCE RVGFVSNGFG AHPTGLLTVA LFEALQRRQP DLQMHLFATS GDDGSTLRTR DATA SEQUENCE LAQASTLHDV TALGHLATAK HIRHHGIDLL FDLRGWGGGG RPEVFALRPA DATA SEQUENCE PVQVNWLAYP GTSGAPWMDY VLGDAFALPP ALEPFYSEHV LRLQGAFQPS DATA SEQUENCE DTSRVVAEPP SRTQCGLPEQ GVVLCCFNNS YKLNPQSMAR MLAVLREVPD DATA SEQUENCE SVLWLLSGPG EADARLRAFA HAQGVDAQRL VFMPKLPHPQ YLARYRHADL DATA SEQUENCE FLDTHPYNAH TTASDALWTG CPVLTTPGET FAARVAGSLN HHLGLDEMNV DATA SEQUENCE ADDAAFVAKA VALASDPAAL TALHARVDVL RRASGVFHMD GFADDFGALL DATA SEQUENCE QALARRHGWL GI 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 57 P HA 0.000 nan 4.420 nan 0.000 0.216 57 P C 0.000 177.290 177.300 -0.016 0.000 1.155 57 P CA 0.000 63.099 63.100 -0.003 0.000 0.800 57 P CB 0.000 31.701 31.700 0.002 0.000 0.726 58 E N 0.322 120.522 120.200 -0.000 0.000 2.216 58 E HA 0.139 4.197 4.350 -0.488 0.000 0.192 58 E C 1.534 178.154 176.600 0.033 0.000 0.988 58 E CA 1.174 57.575 56.400 0.001 0.000 0.834 58 E CB 0.272 29.991 29.700 0.031 0.000 0.772 58 E HN 0.403 nan 8.360 nan 0.000 0.479 59 A N 0.683 123.521 122.820 0.031 0.000 1.859 59 A HA -0.034 3.994 4.320 -0.488 0.000 0.212 59 A C 2.441 180.048 177.584 0.038 0.000 1.238 59 A CA 0.815 52.874 52.037 0.037 0.000 0.613 59 A CB -0.811 18.204 19.000 0.026 0.000 0.904 59 A HN 0.055 nan 8.150 nan 0.000 0.457 60 V N 0.569 120.500 119.914 0.027 0.000 2.240 60 V HA -0.449 3.378 4.120 -0.488 0.000 0.257 60 V C 2.984 179.102 176.094 0.040 0.000 1.067 60 V CA 2.806 65.121 62.300 0.026 0.000 1.067 60 V CB -1.663 30.171 31.823 0.018 0.000 0.683 60 V HN 0.675 nan 8.190 nan 0.000 0.461 61 A N -0.996 121.857 122.820 0.056 0.000 2.054 61 A HA -0.322 3.705 4.320 -0.488 0.000 0.223 61 A C 2.339 180.006 177.584 0.137 0.000 1.169 61 A CA 2.540 54.647 52.037 0.116 0.000 0.655 61 A CB -0.599 18.478 19.000 0.129 0.000 0.812 61 A HN 0.600 nan 8.150 nan 0.000 0.462 62 R N -1.853 118.709 120.500 0.104 0.000 2.140 62 R HA 0.126 4.173 4.340 -0.488 0.000 0.213 62 R C 2.035 178.326 176.300 -0.014 0.000 1.059 62 R CA 0.714 56.841 56.100 0.044 0.000 1.000 62 R CB -0.251 30.101 30.300 0.087 0.000 0.910 62 R HN 0.494 nan 8.270 nan 0.000 0.455 63 L N 0.024 121.252 121.223 0.008 0.000 2.017 63 L HA 0.001 4.048 4.340 -0.488 0.000 0.208 63 L C 1.931 178.799 176.870 -0.003 0.000 1.073 63 L CA 2.177 57.017 54.840 0.001 0.000 0.745 63 L CB -0.872 41.192 42.059 0.009 0.000 0.894 63 L HN 0.164 nan 8.230 nan 0.000 0.432 64 G N -1.387 107.416 108.800 0.004 0.000 2.471 64 G HA2 -0.263 3.404 3.960 -0.488 0.000 0.219 64 G HA3 -0.263 3.404 3.960 -0.488 0.000 0.219 64 G C 1.710 176.609 174.900 -0.000 0.000 1.125 64 G CA 0.609 45.719 45.100 0.017 0.000 0.775 64 G HN 0.311 nan 8.290 nan 0.000 0.548 65 R N 0.135 120.578 120.500 -0.095 0.000 2.153 65 R HA 0.112 4.160 4.340 -0.488 0.000 0.218 65 R C 2.479 178.745 176.300 -0.057 0.000 1.072 65 R CA 0.831 56.791 56.100 -0.233 0.000 0.990 65 R CB -0.619 29.354 30.300 -0.545 0.000 0.889 65 R HN 0.231 nan 8.270 nan 0.000 0.452 66 V N 1.178 121.070 119.914 -0.036 0.000 2.239 66 V HA -0.212 3.616 4.120 -0.488 0.000 0.242 66 V C 2.238 178.334 176.094 0.002 0.000 1.038 66 V CA 1.740 64.031 62.300 -0.013 0.000 1.002 66 V CB -0.494 31.317 31.823 -0.021 0.000 0.641 66 V HN 0.240 nan 8.190 nan 0.000 0.449 67 R N -0.791 119.709 120.500 0.000 0.000 2.190 67 R HA -0.313 3.735 4.340 -0.488 0.000 0.255 67 R C 1.929 178.224 176.300 -0.009 0.000 1.143 67 R CA 2.480 58.572 56.100 -0.014 0.000 0.965 67 R CB -1.493 28.811 30.300 0.008 0.000 0.889 67 R HN 0.708 nan 8.270 nan 0.000 0.448 68 W N 2.146 123.384 121.300 -0.103 0.000 2.318 68 W HA -0.259 4.144 4.660 -0.428 0.000 0.313 68 W C 2.284 178.747 176.519 -0.094 0.000 1.221 68 W CA 2.939 60.245 57.345 -0.065 0.000 1.266 68 W CB -0.596 28.807 29.460 -0.095 0.000 1.150 68 W HN 0.291 nan 8.180 nan 0.000 0.496 69 T N -0.505 114.081 114.554 0.055 0.000 2.833 69 T HA -0.232 3.826 4.350 -0.488 0.000 0.269 69 T C 0.951 175.510 174.700 -0.235 0.000 1.054 69 T CA 1.414 63.453 62.100 -0.101 0.000 1.135 69 T CB -0.539 68.342 68.868 0.022 0.000 0.869 69 T HN 0.377 nan 8.240 nan 0.000 0.466 70 Q N 2.065 121.739 119.800 -0.210 0.000 2.735 70 Q HA 0.221 4.268 4.340 -0.488 0.000 0.380 70 Q C -0.239 175.562 176.000 -0.331 0.000 1.060 70 Q CA -0.587 55.084 55.803 -0.220 0.000 1.025 70 Q CB 0.132 28.785 28.738 -0.140 0.000 1.350 70 Q HN 0.326 nan 8.270 nan 0.000 0.424 71 Q N -0.542 118.935 119.800 -0.538 0.000 2.278 71 Q HA -0.261 3.786 4.340 -0.488 0.000 0.316 71 Q C -0.533 175.006 176.000 -0.770 0.000 1.170 71 Q CA 1.174 56.400 55.803 -0.962 0.000 0.973 71 Q CB -1.690 26.720 28.738 -0.546 0.000 1.269 71 Q HN 0.544 nan 8.270 nan 0.000 0.500 72 R N 0.847 121.060 120.500 -0.479 0.000 4.231 72 R HA 0.143 4.191 4.340 -0.488 0.000 0.250 72 R C 0.913 177.131 176.300 -0.136 0.000 1.600 72 R CA -0.367 55.589 56.100 -0.241 0.000 1.523 72 R CB 0.211 30.434 30.300 -0.128 0.000 1.422 72 R HN 0.300 nan 8.270 nan 0.000 0.759 73 H N 0.936 119.986 119.070 -0.033 0.000 2.352 73 H HA -0.138 4.118 4.556 -0.500 0.000 0.299 73 H C 2.092 177.446 175.328 0.045 0.000 1.097 73 H CA 1.589 57.645 56.048 0.013 0.000 1.311 73 H CB 0.003 29.764 29.762 -0.003 0.000 1.377 73 H HN 0.481 nan 8.280 nan 0.000 0.504 74 A N 1.274 124.182 122.820 0.146 0.000 1.896 74 A HA -0.277 3.751 4.320 -0.488 0.000 0.220 74 A C 2.341 179.969 177.584 0.073 0.000 1.206 74 A CA 2.376 54.468 52.037 0.090 0.000 0.647 74 A CB -0.553 18.480 19.000 0.054 0.000 0.828 74 A HN 0.494 nan 8.150 nan 0.000 0.455 75 E N -0.939 119.293 120.200 0.054 0.000 2.170 75 E HA 0.146 4.203 4.350 -0.488 0.000 0.191 75 E C 2.326 178.960 176.600 0.058 0.000 0.981 75 E CA 0.568 56.993 56.400 0.042 0.000 0.830 75 E CB -0.258 29.454 29.700 0.019 0.000 0.775 75 E HN 0.607 nan 8.360 nan 0.000 0.470 76 A N 1.826 124.697 122.820 0.086 0.000 1.881 76 A HA -0.314 3.713 4.320 -0.488 0.000 0.219 76 A C 2.441 180.085 177.584 0.100 0.000 1.215 76 A CA 2.315 54.424 52.037 0.120 0.000 0.648 76 A CB -1.136 18.004 19.000 0.234 0.000 0.832 76 A HN 0.334 nan 8.150 nan 0.000 0.455 77 A N -0.854 122.032 122.820 0.110 0.000 1.892 77 A HA -0.081 3.946 4.320 -0.488 0.000 0.218 77 A C 2.206 179.820 177.584 0.050 0.000 1.188 77 A CA 2.293 54.375 52.037 0.075 0.000 0.631 77 A CB -1.126 17.920 19.000 0.076 0.000 0.822 77 A HN 0.703 nan 8.150 nan 0.000 0.447 78 V N -0.388 119.555 119.914 0.047 0.000 2.667 78 V HA -0.170 3.657 4.120 -0.488 0.000 0.252 78 V C 2.404 178.515 176.094 0.028 0.000 1.065 78 V CA 1.538 63.858 62.300 0.033 0.000 1.083 78 V CB -0.810 31.031 31.823 0.029 0.000 0.692 78 V HN 0.512 nan 8.190 nan 0.000 0.468 79 L N -0.786 120.457 121.223 0.033 0.000 2.049 79 L HA -0.040 4.008 4.340 -0.488 0.000 0.203 79 L C 2.402 179.289 176.870 0.029 0.000 1.074 79 L CA 1.291 56.148 54.840 0.028 0.000 0.749 79 L CB -0.426 41.650 42.059 0.029 0.000 0.907 79 L HN 0.230 nan 8.230 nan 0.000 0.439 80 L N -0.326 120.920 121.223 0.037 0.000 2.127 80 L HA -0.261 3.786 4.340 -0.488 0.000 0.211 80 L C 2.652 179.534 176.870 0.018 0.000 1.089 80 L CA 1.031 55.893 54.840 0.037 0.000 0.757 80 L CB -0.345 41.744 42.059 0.050 0.000 0.899 80 L HN 0.322 nan 8.230 nan 0.000 0.434 81 Q N 0.049 119.859 119.800 0.018 0.000 2.050 81 Q HA -0.279 3.769 4.340 -0.488 0.000 0.202 81 Q C 2.191 178.196 176.000 0.008 0.000 0.980 81 Q CA 1.843 57.651 55.803 0.010 0.000 0.840 81 Q CB -0.235 28.511 28.738 0.013 0.000 0.898 81 Q HN 0.440 nan 8.270 nan 0.000 0.424 82 Q N -1.084 118.723 119.800 0.011 0.000 2.135 82 Q HA -0.185 3.862 4.340 -0.488 0.000 0.204 82 Q C 1.729 177.733 176.000 0.006 0.000 0.981 82 Q CA 1.447 57.256 55.803 0.010 0.000 0.856 82 Q CB -0.201 28.544 28.738 0.012 0.000 0.902 82 Q HN 0.487 nan 8.270 nan 0.000 0.425 83 A N 0.092 122.914 122.820 0.004 0.000 1.840 83 A HA -0.151 3.877 4.320 -0.488 0.000 0.214 83 A C 2.173 179.749 177.584 -0.013 0.000 1.198 83 A CA 1.590 53.622 52.037 -0.007 0.000 0.608 83 A CB -1.102 17.891 19.000 -0.012 0.000 0.839 83 A HN 0.452 nan 8.150 nan 0.000 0.443 84 S N -0.163 115.528 115.700 -0.014 0.000 2.402 84 S HA -0.231 3.946 4.470 -0.488 0.000 0.233 84 S C 1.572 176.171 174.600 -0.002 0.000 1.030 84 S CA 1.982 60.174 58.200 -0.013 0.000 1.003 84 S CB -0.629 62.561 63.200 -0.016 0.000 0.813 84 S HN 0.538 nan 8.310 nan 0.000 0.477 85 D N 0.998 121.398 120.400 0.001 0.000 2.123 85 D HA 0.072 4.420 4.640 -0.488 0.000 0.200 85 D C 2.229 178.533 176.300 0.007 0.000 0.976 85 D CA 1.372 55.375 54.000 0.004 0.000 0.831 85 D CB -0.614 40.189 40.800 0.005 0.000 0.974 85 D HN 0.514 nan 8.370 nan 0.000 0.469 86 A N 0.227 123.051 122.820 0.007 0.000 1.970 86 A HA 0.290 4.318 4.320 -0.488 0.000 0.216 86 A C 1.417 179.010 177.584 0.014 0.000 1.170 86 A CA 1.210 53.252 52.037 0.009 0.000 0.645 86 A CB 0.084 19.089 19.000 0.008 0.000 0.816 86 A HN 0.171 nan 8.150 nan 0.000 0.447 87 A N -0.001 122.829 122.820 0.017 0.000 3.064 87 A HA 0.583 4.610 4.320 -0.488 0.000 0.339 87 A C -1.813 175.795 177.584 0.040 0.000 1.078 87 A CA -1.022 51.036 52.037 0.036 0.000 0.869 87 A CB 0.462 19.497 19.000 0.057 0.000 1.067 87 A HN 0.204 nan 8.150 nan 0.000 0.480 88 P HA -0.029 nan 4.420 nan 0.000 0.245 88 P C 0.158 177.472 177.300 0.023 0.000 1.212 88 P CA 0.881 63.993 63.100 0.019 0.000 0.774 88 P CB 0.378 32.084 31.700 0.011 0.000 0.999 89 E N -1.960 118.259 120.200 0.031 0.000 2.474 89 E HA 0.004 4.061 4.350 -0.488 0.000 0.195 89 E C 0.692 177.307 176.600 0.024 0.000 1.039 89 E CA -0.011 56.398 56.400 0.016 0.000 0.881 89 E CB -0.717 28.981 29.700 -0.005 0.000 0.970 89 E HN 0.295 nan 8.360 nan 0.000 0.486 90 H N 2.776 121.818 119.070 -0.045 0.000 2.846 90 H HA 0.115 4.379 4.556 -0.486 0.000 0.278 90 H C -1.679 173.599 175.328 -0.083 0.000 1.117 90 H CA -2.518 53.492 56.048 -0.065 0.000 1.406 90 H CB 1.076 30.798 29.762 -0.067 0.000 1.445 90 H HN -0.075 nan 8.280 nan 0.000 0.469 91 P HA -0.102 nan 4.420 nan 0.000 0.215 91 P C 1.537 178.870 177.300 0.055 0.000 1.157 91 P CA 1.497 64.620 63.100 0.037 0.000 0.863 91 P CB -0.049 31.632 31.700 -0.031 0.000 0.787 92 G N 0.198 109.064 108.800 0.109 0.000 2.475 92 G HA2 -0.235 3.432 3.960 -0.488 0.000 0.220 92 G HA3 -0.235 3.432 3.960 -0.488 0.000 0.220 92 G C 1.701 176.369 174.900 -0.386 0.000 1.125 92 G CA 0.601 45.601 45.100 -0.166 0.000 0.755 92 G HN 0.253 nan 8.290 nan 0.000 0.565 93 I N 1.063 121.486 120.570 -0.246 0.000 2.193 93 I HA -0.100 3.777 4.170 -0.488 0.000 0.240 93 I C 3.297 179.354 176.117 -0.100 0.000 1.084 93 I CA 0.874 62.017 61.300 -0.262 0.000 1.365 93 I CB -0.268 37.526 38.000 -0.343 0.000 1.064 93 I HN 0.234 nan 8.210 nan 0.000 0.410 94 A N 0.532 123.314 122.820 -0.064 0.000 1.948 94 A HA -0.247 3.780 4.320 -0.488 0.000 0.220 94 A C 2.209 179.705 177.584 -0.145 0.000 1.177 94 A CA 1.693 53.681 52.037 -0.081 0.000 0.636 94 A CB -0.760 18.212 19.000 -0.047 0.000 0.815 94 A HN 0.374 nan 8.150 nan 0.000 0.449 95 L N -2.030 119.125 121.223 -0.113 0.000 2.109 95 L HA -0.022 4.025 4.340 -0.488 0.000 0.207 95 L C 2.083 178.981 176.870 0.047 0.000 1.086 95 L CA 1.322 56.112 54.840 -0.085 0.000 0.760 95 L CB -0.818 41.232 42.059 -0.013 0.000 0.910 95 L HN 0.604 nan 8.230 nan 0.000 0.437 96 W N -1.167 120.072 121.300 -0.102 0.000 2.453 96 W HA -0.016 4.595 4.660 -0.082 0.000 0.289 96 W C 2.317 178.730 176.519 -0.176 0.000 1.215 96 W CA 0.424 57.688 57.345 -0.134 0.000 1.297 96 W CB -0.991 28.379 29.460 -0.150 0.000 1.113 96 W HN 0.130 nan 8.180 nan 0.000 0.551 97 L N 0.932 122.185 121.223 0.051 0.000 2.129 97 L HA -0.093 3.955 4.340 -0.488 0.000 0.212 97 L C 2.273 179.050 176.870 -0.154 0.000 1.087 97 L CA 2.568 57.381 54.840 -0.044 0.000 0.757 97 L CB -1.148 40.873 42.059 -0.063 0.000 0.896 97 L HN -0.034 nan 8.230 nan 0.000 0.434 98 G N -2.080 106.510 108.800 -0.350 0.000 2.394 98 G HA2 -0.228 3.439 3.960 -0.488 0.000 0.214 98 G HA3 -0.228 3.439 3.960 -0.488 0.000 0.214 98 G C 1.456 176.088 174.900 -0.447 0.000 1.176 98 G CA 0.706 45.379 45.100 -0.712 0.000 0.786 98 G HN 0.548 nan 8.290 nan 0.000 0.533 99 H N 0.846 119.804 119.070 -0.187 0.000 2.457 99 H HA 0.081 4.362 4.556 -0.458 0.000 0.294 99 H C 2.838 178.141 175.328 -0.041 0.000 1.064 99 H CA 0.925 56.919 56.048 -0.091 0.000 1.330 99 H CB -0.177 29.479 29.762 -0.177 0.000 1.395 99 H HN 0.384 nan 8.280 nan 0.000 0.541 100 A N 1.644 124.478 122.820 0.024 0.000 1.827 100 A HA -0.154 3.874 4.320 -0.488 0.000 0.215 100 A C 2.627 180.286 177.584 0.125 0.000 1.212 100 A CA 1.283 53.398 52.037 0.131 0.000 0.624 100 A CB -1.143 17.902 19.000 0.076 0.000 0.853 100 A HN 0.280 nan 8.150 nan 0.000 0.450 101 L N -0.372 120.878 121.223 0.046 0.000 2.082 101 L HA -0.374 3.673 4.340 -0.488 0.000 0.223 101 L C 2.736 179.636 176.870 0.050 0.000 1.086 101 L CA 2.407 57.269 54.840 0.038 0.000 0.793 101 L CB -0.791 41.268 42.059 0.000 0.000 0.896 101 L HN 0.780 nan 8.230 nan 0.000 0.441 102 E N 0.104 120.316 120.200 0.019 0.000 2.077 102 E HA -0.248 3.809 4.350 -0.488 0.000 0.193 102 E C 1.378 178.015 176.600 0.061 0.000 0.989 102 E CA 1.694 58.112 56.400 0.030 0.000 0.800 102 E CB -0.003 29.611 29.700 -0.144 0.000 0.746 102 E HN 0.520 nan 8.360 nan 0.000 0.452 103 D N -0.231 120.200 120.400 0.053 0.000 2.349 103 D HA 0.026 4.373 4.640 -0.488 0.000 0.215 103 D C 0.716 176.874 176.300 -0.236 0.000 1.016 103 D CA 0.669 54.614 54.000 -0.093 0.000 0.870 103 D CB 0.586 41.349 40.800 -0.062 0.000 0.917 103 D HN 0.236 nan 8.370 nan 0.000 0.524 104 A N 0.299 123.099 122.820 -0.034 0.000 2.462 104 A HA 0.451 4.478 4.320 -0.488 0.000 0.261 104 A C 1.565 179.175 177.584 0.043 0.000 1.323 104 A CA 0.333 52.384 52.037 0.023 0.000 0.913 104 A CB -0.378 18.676 19.000 0.090 0.000 1.028 104 A HN 0.126 nan 8.150 nan 0.000 0.511 105 G N -0.389 108.439 108.800 0.047 0.000 2.321 105 G HA2 -0.308 3.359 3.960 -0.488 0.000 0.287 105 G HA3 -0.308 3.359 3.960 -0.488 0.000 0.287 105 G C 0.259 175.213 174.900 0.090 0.000 1.018 105 G CA 0.753 45.900 45.100 0.079 0.000 0.855 105 G HN 0.644 nan 8.290 nan 0.000 0.507 106 Q N -0.620 119.237 119.800 0.095 0.000 2.640 106 Q HA 0.621 4.668 4.340 -0.488 0.000 0.389 106 Q C 2.119 178.205 176.000 0.144 0.000 1.012 106 Q CA 0.160 56.021 55.803 0.096 0.000 1.060 106 Q CB 0.075 28.854 28.738 0.069 0.000 1.332 106 Q HN 0.645 nan 8.270 nan 0.000 0.418 107 A N 1.003 123.952 122.820 0.215 0.000 1.900 107 A HA -0.341 3.687 4.320 -0.488 0.000 0.225 107 A C 1.845 179.617 177.584 0.313 0.000 1.414 107 A CA 2.032 54.288 52.037 0.366 0.000 0.702 107 A CB -0.275 18.894 19.000 0.282 0.000 0.845 107 A HN 0.516 nan 8.150 nan 0.000 0.478 108 E N -0.738 119.566 120.200 0.173 0.000 2.058 108 E HA -0.151 3.907 4.350 -0.488 0.000 0.194 108 E C 2.451 179.129 176.600 0.130 0.000 0.997 108 E CA 1.378 57.856 56.400 0.130 0.000 0.801 108 E CB -0.709 29.030 29.700 0.065 0.000 0.746 108 E HN 0.656 nan 8.360 nan 0.000 0.450 109 A N 1.606 124.486 122.820 0.099 0.000 1.873 109 A HA -0.075 3.952 4.320 -0.488 0.000 0.215 109 A C 2.481 180.093 177.584 0.047 0.000 1.186 109 A CA 2.174 54.248 52.037 0.061 0.000 0.616 109 A CB -0.767 18.258 19.000 0.042 0.000 0.823 109 A HN 0.270 nan 8.150 nan 0.000 0.442 110 A N 0.018 122.875 122.820 0.062 0.000 1.903 110 A HA -0.036 3.992 4.320 -0.488 0.000 0.219 110 A C 2.509 180.130 177.584 0.061 0.000 1.191 110 A CA 2.792 54.820 52.037 -0.015 0.000 0.638 110 A CB -1.160 17.849 19.000 0.014 0.000 0.823 110 A HN 1.221 nan 8.150 nan 0.000 0.451 111 A N -0.742 122.261 122.820 0.306 0.000 1.969 111 A HA 0.261 4.288 4.320 -0.488 0.000 0.218 111 A C 2.457 180.182 177.584 0.236 0.000 1.169 111 A CA 1.809 54.107 52.037 0.436 0.000 0.635 111 A CB -0.883 18.419 19.000 0.504 0.000 0.810 111 A HN 1.134 nan 8.150 nan 0.000 0.445 112 A N 0.088 122.986 122.820 0.131 0.000 1.902 112 A HA 0.136 4.163 4.320 -0.488 0.000 0.217 112 A C 2.480 180.082 177.584 0.029 0.000 1.181 112 A CA 2.025 54.106 52.037 0.073 0.000 0.623 112 A CB -0.946 18.082 19.000 0.047 0.000 0.818 112 A HN 1.005 nan 8.150 nan 0.000 0.443 113 A N -1.268 121.521 122.820 -0.051 0.000 1.902 113 A HA -0.075 3.953 4.320 -0.488 0.000 0.217 113 A C 2.056 179.546 177.584 -0.156 0.000 1.181 113 A CA 1.573 53.517 52.037 -0.155 0.000 0.623 113 A CB -0.824 17.994 19.000 -0.304 0.000 0.818 113 A HN 0.582 nan 8.150 nan 0.000 0.443 114 Y N 0.510 120.790 120.300 -0.034 0.000 2.293 114 Y HA -0.124 4.129 4.550 -0.494 0.000 0.291 114 Y C 2.889 178.808 175.900 0.032 0.000 1.137 114 Y CA 1.490 59.569 58.100 -0.035 0.000 1.202 114 Y CB -1.092 37.323 38.460 -0.075 0.000 0.990 114 Y HN 0.248 nan 8.280 nan 0.000 0.537 115 T N -0.300 114.368 114.554 0.190 0.000 2.684 115 T HA -0.218 3.839 4.350 -0.488 0.000 0.267 115 T C 2.055 176.839 174.700 0.140 0.000 1.036 115 T CA 1.661 63.860 62.100 0.165 0.000 1.148 115 T CB -0.162 68.781 68.868 0.124 0.000 0.863 115 T HN 0.268 nan 8.240 nan 0.000 0.436 116 R N 0.418 120.967 120.500 0.081 0.000 2.062 116 R HA 0.069 4.117 4.340 -0.488 0.000 0.229 116 R C 2.721 179.053 176.300 0.053 0.000 1.128 116 R CA 1.094 57.223 56.100 0.048 0.000 0.960 116 R CB -0.468 29.842 30.300 0.018 0.000 0.855 116 R HN 0.342 nan 8.270 nan 0.000 0.432 117 A N 0.433 123.286 122.820 0.054 0.000 1.915 117 A HA -0.320 3.708 4.320 -0.488 0.000 0.220 117 A C 1.976 179.635 177.584 0.125 0.000 1.198 117 A CA 2.279 54.358 52.037 0.071 0.000 0.647 117 A CB -1.078 17.968 19.000 0.076 0.000 0.825 117 A HN 0.592 nan 8.150 nan 0.000 0.456 118 H N -0.950 118.148 119.070 0.047 0.000 2.357 118 H HA -0.072 4.190 4.556 -0.489 0.000 0.301 118 H C 2.116 177.460 175.328 0.026 0.000 1.082 118 H CA 2.067 58.139 56.048 0.039 0.000 1.342 118 H CB -0.284 29.507 29.762 0.047 0.000 1.389 118 H HN 0.543 nan 8.280 nan 0.000 0.511 119 Q N -0.484 119.297 119.800 -0.032 0.000 2.226 119 Q HA -0.041 4.007 4.340 -0.488 0.000 0.204 119 Q C 2.108 178.052 176.000 -0.093 0.000 0.975 119 Q CA 1.356 57.097 55.803 -0.102 0.000 0.866 119 Q CB 0.052 28.775 28.738 -0.025 0.000 0.915 119 Q HN 0.509 nan 8.270 nan 0.000 0.440 120 L N -1.250 119.943 121.223 -0.050 0.000 2.249 120 L HA 0.079 4.126 4.340 -0.488 0.000 0.207 120 L C 0.497 177.338 176.870 -0.048 0.000 1.090 120 L CA 0.388 55.203 54.840 -0.042 0.000 0.802 120 L CB 0.305 42.350 42.059 -0.023 0.000 0.947 120 L HN 0.079 nan 8.230 nan 0.000 0.453 121 L N 1.351 122.554 121.223 -0.034 0.000 2.637 121 L HA 0.227 4.274 4.340 -0.488 0.000 0.241 121 L C -1.482 175.375 176.870 -0.022 0.000 1.398 121 L CA -1.040 53.789 54.840 -0.018 0.000 0.895 121 L CB 0.885 42.955 42.059 0.018 0.000 1.183 121 L HN -0.105 nan 8.230 nan 0.000 0.497 122 P HA -0.220 nan 4.420 nan 0.000 0.218 122 P C 0.993 178.286 177.300 -0.013 0.000 1.148 122 P CA 1.302 64.285 63.100 -0.196 0.000 0.822 122 P CB 0.245 31.830 31.700 -0.192 0.000 0.784 123 E N -0.224 119.979 120.200 0.005 0.000 2.489 123 E HA -0.049 4.008 4.350 -0.488 0.000 0.193 123 E C 0.223 176.856 176.600 0.055 0.000 1.057 123 E CA 0.354 56.771 56.400 0.029 0.000 0.866 123 E CB -0.287 29.418 29.700 0.008 0.000 0.916 123 E HN 0.133 nan 8.360 nan 0.000 0.500 124 E N 2.955 123.204 120.200 0.081 0.000 2.001 124 E HA 0.120 4.178 4.350 -0.488 0.000 0.279 124 E C -1.663 175.011 176.600 0.123 0.000 1.045 124 E CA -2.409 54.051 56.400 0.099 0.000 0.833 124 E CB 1.637 31.401 29.700 0.106 0.000 1.077 124 E HN 0.089 nan 8.360 nan 0.000 0.397 125 P HA -0.216 nan 4.420 nan 0.000 0.215 125 P C 1.416 178.768 177.300 0.087 0.000 1.153 125 P CA 1.187 64.332 63.100 0.076 0.000 0.853 125 P CB 0.004 31.737 31.700 0.054 0.000 0.788 126 Y N 0.940 121.245 120.300 0.009 0.000 2.200 126 Y HA -0.137 4.117 4.550 -0.494 0.000 0.290 126 Y C 2.411 178.320 175.900 0.016 0.000 1.137 126 Y CA 1.290 59.395 58.100 0.007 0.000 1.163 126 Y CB -1.128 37.342 38.460 0.017 0.000 0.988 126 Y HN -0.246 nan 8.280 nan 0.000 0.518 127 I N -0.218 120.326 120.570 -0.043 0.000 2.179 127 I HA -0.351 3.526 4.170 -0.488 0.000 0.242 127 I C 2.247 178.269 176.117 -0.158 0.000 1.088 127 I CA 1.961 63.203 61.300 -0.097 0.000 1.357 127 I CB -0.787 37.280 38.000 0.112 0.000 1.051 127 I HN 0.225 nan 8.210 nan 0.000 0.409 128 T N 0.848 115.336 114.554 -0.111 0.000 2.684 128 T HA -0.229 3.828 4.350 -0.488 0.000 0.267 128 T C 2.069 176.637 174.700 -0.220 0.000 1.036 128 T CA 1.558 63.496 62.100 -0.270 0.000 1.148 128 T CB -0.472 68.324 68.868 -0.120 0.000 0.863 128 T HN 0.497 nan 8.240 nan 0.000 0.436 129 A N 1.374 124.097 122.820 -0.162 0.000 1.877 129 A HA -0.160 3.868 4.320 -0.488 0.000 0.216 129 A C 2.407 179.872 177.584 -0.199 0.000 1.186 129 A CA 1.305 53.260 52.037 -0.137 0.000 0.620 129 A CB -0.645 18.297 19.000 -0.097 0.000 0.822 129 A HN 0.345 nan 8.150 nan 0.000 0.443 130 Q N -1.055 118.531 119.800 -0.356 0.000 2.096 130 Q HA -0.183 3.865 4.340 -0.488 0.000 0.204 130 Q C 2.121 177.883 176.000 -0.396 0.000 0.982 130 Q CA 1.611 57.137 55.803 -0.461 0.000 0.850 130 Q CB -0.425 27.881 28.738 -0.719 0.000 0.901 130 Q HN 0.596 nan 8.270 nan 0.000 0.422 131 L N 0.508 121.555 121.223 -0.293 0.000 2.056 131 L HA -0.160 3.887 4.340 -0.488 0.000 0.207 131 L C 2.227 179.058 176.870 -0.066 0.000 1.078 131 L CA 1.300 56.046 54.840 -0.158 0.000 0.749 131 L CB -0.800 41.167 42.059 -0.155 0.000 0.901 131 L HN 0.198 nan 8.230 nan 0.000 0.433 132 L N 0.144 121.313 121.223 -0.090 0.000 1.994 132 L HA -0.258 3.789 4.340 -0.488 0.000 0.208 132 L C 2.355 179.231 176.870 0.010 0.000 1.071 132 L CA 2.268 57.091 54.840 -0.028 0.000 0.745 132 L CB -1.175 40.865 42.059 -0.031 0.000 0.892 132 L HN 0.588 nan 8.230 nan 0.000 0.431 133 N N -1.083 117.621 118.700 0.006 0.000 2.149 133 N HA -0.292 4.156 4.740 -0.488 0.000 0.188 133 N C 2.016 177.574 175.510 0.081 0.000 1.019 133 N CA 1.559 54.636 53.050 0.044 0.000 0.857 133 N CB -0.389 38.136 38.487 0.063 0.000 0.997 133 N HN 0.618 nan 8.380 nan 0.000 0.426 134 W N 1.606 122.823 121.300 -0.138 0.000 2.388 134 W HA -0.045 4.334 4.660 -0.468 0.000 0.294 134 W C 2.178 178.693 176.519 -0.007 0.000 1.212 134 W CA 0.601 57.891 57.345 -0.093 0.000 1.271 134 W CB -0.013 29.340 29.460 -0.179 0.000 1.126 134 W HN 0.188 nan 8.180 nan 0.000 0.535 135 R N -0.206 120.309 120.500 0.025 0.000 2.115 135 R HA -0.070 3.978 4.340 -0.488 0.000 0.226 135 R C 2.190 178.499 176.300 0.015 0.000 1.100 135 R CA 0.698 56.806 56.100 0.013 0.000 0.980 135 R CB -0.338 30.000 30.300 0.063 0.000 0.875 135 R HN 0.168 nan 8.270 nan 0.000 0.445 136 R N 0.191 120.719 120.500 0.046 0.000 2.096 136 R HA -0.069 3.979 4.340 -0.488 0.000 0.235 136 R C 2.268 178.600 176.300 0.053 0.000 1.127 136 R CA 0.979 57.151 56.100 0.119 0.000 0.968 136 R CB -0.213 30.168 30.300 0.135 0.000 0.861 136 R HN 0.154 nan 8.270 nan 0.000 0.440 137 R N 0.633 121.070 120.500 -0.106 0.000 2.115 137 R HA -0.020 4.028 4.340 -0.488 0.000 0.230 137 R C 1.747 177.896 176.300 -0.252 0.000 1.111 137 R CA 0.956 56.927 56.100 -0.215 0.000 0.976 137 R CB 0.018 29.917 30.300 -0.669 0.000 0.870 137 R HN 0.192 nan 8.270 nan 0.000 0.445 138 L N -0.516 120.544 121.223 -0.270 0.000 2.628 138 L HA 0.084 4.131 4.340 -0.488 0.000 0.229 138 L C 0.491 177.238 176.870 -0.206 0.000 1.137 138 L CA -0.363 54.345 54.840 -0.219 0.000 0.909 138 L CB 0.265 42.205 42.059 -0.197 0.000 1.137 138 L HN 0.243 nan 8.230 nan 0.000 0.470 139 C N 0.772 119.974 119.300 -0.164 0.000 4.274 139 C HA -0.197 3.971 4.460 -0.488 0.000 0.297 139 C C 0.824 175.352 174.990 -0.771 0.000 1.446 139 C CA 0.357 59.173 59.018 -0.336 0.000 2.016 139 C CB -2.526 24.991 27.740 -0.371 0.000 1.273 139 C HN 0.577 nan 8.230 nan 0.000 0.782 140 D N -0.062 120.104 120.400 -0.391 0.000 2.393 140 D HA 0.205 4.552 4.640 -0.488 0.000 0.232 140 D C 0.507 176.761 176.300 -0.076 0.000 1.192 140 D CA -0.279 53.548 54.000 -0.289 0.000 0.882 140 D CB 0.243 40.977 40.800 -0.109 0.000 1.038 140 D HN 0.572 nan 8.370 nan 0.000 0.499 141 W N 3.971 125.238 121.300 -0.055 0.000 3.269 141 W HA 0.204 4.571 4.660 -0.489 0.000 0.413 141 W C 0.361 176.868 176.519 -0.019 0.000 1.057 141 W CA -0.763 56.550 57.345 -0.055 0.000 1.953 141 W CB -0.835 28.563 29.460 -0.103 0.000 1.053 141 W HN 0.127 nan 8.180 nan 0.000 0.753 142 R N 1.319 121.909 120.500 0.149 0.000 2.458 142 R HA 0.252 4.299 4.340 -0.488 0.000 0.303 142 R C 1.177 177.543 176.300 0.110 0.000 1.013 142 R CA 0.736 56.904 56.100 0.114 0.000 1.026 142 R CB 0.248 30.594 30.300 0.077 0.000 0.948 142 R HN 0.103 nan 8.270 nan 0.000 0.417 143 A N 2.845 125.726 122.820 0.100 0.000 2.872 143 A HA -0.181 3.846 4.320 -0.488 0.000 0.273 143 A C 0.961 178.587 177.584 0.071 0.000 1.442 143 A CA 0.722 52.808 52.037 0.081 0.000 0.801 143 A CB -1.581 17.469 19.000 0.084 0.000 1.031 143 A HN 0.717 nan 8.150 nan 0.000 0.582 144 L N -0.860 120.408 121.223 0.075 0.000 2.291 144 L HA 0.011 4.058 4.340 -0.488 0.000 0.214 144 L C 1.728 178.606 176.870 0.014 0.000 1.120 144 L CA 2.501 57.371 54.840 0.050 0.000 0.799 144 L CB -0.177 41.909 42.059 0.044 0.000 0.925 144 L HN 0.459 nan 8.230 nan 0.000 0.446 145 D N -1.292 119.118 120.400 0.016 0.000 2.183 145 D HA -0.069 4.279 4.640 -0.488 0.000 0.205 145 D C 2.284 178.593 176.300 0.016 0.000 0.962 145 D CA 1.229 55.230 54.000 0.003 0.000 0.849 145 D CB 0.115 40.917 40.800 0.004 0.000 0.978 145 D HN 0.216 nan 8.370 nan 0.000 0.488 146 V N 1.220 121.153 119.914 0.031 0.000 2.270 146 V HA -0.170 3.658 4.120 -0.488 0.000 0.245 146 V C 2.692 178.811 176.094 0.041 0.000 1.043 146 V CA 0.992 63.317 62.300 0.041 0.000 1.014 146 V CB -0.420 31.436 31.823 0.056 0.000 0.645 146 V HN 0.195 nan 8.190 nan 0.000 0.447 147 L N 0.045 121.290 121.223 0.036 0.000 2.043 147 L HA -0.223 3.825 4.340 -0.488 0.000 0.212 147 L C 2.703 179.581 176.870 0.013 0.000 1.075 147 L CA 2.089 56.936 54.840 0.011 0.000 0.752 147 L CB -0.652 41.402 42.059 -0.008 0.000 0.891 147 L HN 0.428 nan 8.230 nan 0.000 0.432 148 S N -0.600 115.109 115.700 0.015 0.000 2.387 148 S HA -0.101 4.077 4.470 -0.488 0.000 0.226 148 S C 2.080 176.703 174.600 0.038 0.000 1.026 148 S CA 1.032 59.244 58.200 0.019 0.000 0.972 148 S CB 0.013 63.206 63.200 -0.011 0.000 0.814 148 S HN 0.432 nan 8.310 nan 0.000 0.477 149 A N 0.778 123.616 122.820 0.029 0.000 1.898 149 A HA -0.092 3.936 4.320 -0.488 0.000 0.216 149 A C 2.120 179.728 177.584 0.041 0.000 1.181 149 A CA 1.552 53.609 52.037 0.034 0.000 0.620 149 A CB -0.757 18.259 19.000 0.026 0.000 0.819 149 A HN 0.668 nan 8.150 nan 0.000 0.442 150 Q N -0.612 119.212 119.800 0.040 0.000 2.084 150 Q HA -0.107 3.940 4.340 -0.488 0.000 0.202 150 Q C 2.130 178.149 176.000 0.030 0.000 0.978 150 Q CA 1.634 57.460 55.803 0.039 0.000 0.844 150 Q CB -0.286 28.483 28.738 0.051 0.000 0.898 150 Q HN 0.491 nan 8.270 nan 0.000 0.426 151 V N 0.601 120.539 119.914 0.039 0.000 2.307 151 V HA -0.268 3.559 4.120 -0.488 0.000 0.245 151 V C 2.147 178.267 176.094 0.044 0.000 1.045 151 V CA 1.820 64.144 62.300 0.041 0.000 1.024 151 V CB -0.430 31.446 31.823 0.089 0.000 0.651 151 V HN 0.287 nan 8.190 nan 0.000 0.449 152 R N 0.001 120.579 120.500 0.130 0.000 2.091 152 R HA -0.151 3.896 4.340 -0.488 0.000 0.238 152 R C 2.418 178.739 176.300 0.035 0.000 1.136 152 R CA 1.500 57.684 56.100 0.139 0.000 0.959 152 R CB -0.616 29.782 30.300 0.163 0.000 0.856 152 R HN 0.548 nan 8.270 nan 0.000 0.437 153 A N 1.144 123.979 122.820 0.025 0.000 1.908 153 A HA -0.152 3.876 4.320 -0.488 0.000 0.218 153 A C 2.367 179.939 177.584 -0.019 0.000 1.181 153 A CA 1.749 53.789 52.037 0.006 0.000 0.627 153 A CB -0.690 18.318 19.000 0.014 0.000 0.818 153 A HN 0.416 nan 8.150 nan 0.000 0.445 154 A N -0.599 122.203 122.820 -0.030 0.000 1.877 154 A HA -0.038 3.990 4.320 -0.488 0.000 0.216 154 A C 2.234 179.760 177.584 -0.097 0.000 1.186 154 A CA 1.844 53.850 52.037 -0.052 0.000 0.620 154 A CB -1.025 17.945 19.000 -0.050 0.000 0.822 154 A HN 0.416 nan 8.150 nan 0.000 0.443 155 V N -0.132 119.687 119.914 -0.157 0.000 2.332 155 V HA -0.277 3.550 4.120 -0.488 0.000 0.248 155 V C 3.045 179.055 176.094 -0.140 0.000 1.055 155 V CA 1.977 64.135 62.300 -0.237 0.000 1.038 155 V CB -1.172 30.387 31.823 -0.440 0.000 0.651 155 V HN 0.634 nan 8.190 nan 0.000 0.450 156 A N -1.155 121.616 122.820 -0.081 0.000 1.933 156 A HA -0.270 3.758 4.320 -0.488 0.000 0.218 156 A C 2.105 179.665 177.584 -0.040 0.000 1.175 156 A CA 1.870 53.881 52.037 -0.043 0.000 0.628 156 A CB -0.371 18.619 19.000 -0.017 0.000 0.814 156 A HN 0.621 nan 8.150 nan 0.000 0.444 157 Q N -0.554 119.221 119.800 -0.042 0.000 2.319 157 Q HA 0.179 4.227 4.340 -0.488 0.000 0.202 157 Q C 0.980 176.954 176.000 -0.044 0.000 0.896 157 Q CA -0.033 55.749 55.803 -0.034 0.000 0.942 157 Q CB 0.193 28.917 28.738 -0.024 0.000 1.083 157 Q HN 0.633 nan 8.270 nan 0.000 0.510 158 G N 1.347 110.108 108.800 -0.065 0.000 2.287 158 G HA2 0.085 3.752 3.960 -0.488 0.000 0.235 158 G HA3 0.085 3.752 3.960 -0.488 0.000 0.235 158 G C 0.327 175.192 174.900 -0.060 0.000 1.258 158 G CA 0.221 45.275 45.100 -0.076 0.000 0.884 158 G HN 0.581 nan 8.290 nan 0.000 0.518 159 V N 1.080 120.964 119.914 -0.051 0.000 5.441 159 V HA 0.071 3.898 4.120 -0.488 0.000 0.337 159 V C 1.066 177.119 176.094 -0.068 0.000 0.698 159 V CA 1.419 63.690 62.300 -0.048 0.000 1.257 159 V CB -1.093 30.713 31.823 -0.028 0.000 1.476 159 V HN 2.849 nan 8.190 nan 0.000 0.453 160 G N 2.654 111.401 108.800 -0.088 0.000 3.211 160 G HA2 0.246 3.913 3.960 -0.488 0.000 0.202 160 G HA3 0.246 3.913 3.960 -0.488 0.000 0.202 160 G C 0.927 175.783 174.900 -0.073 0.000 1.035 160 G CA 0.886 45.935 45.100 -0.084 0.000 0.846 160 G HN 2.212 nan 8.290 nan 0.000 0.464 161 A N 0.409 123.216 122.820 -0.023 0.000 2.014 161 A HA 0.526 4.554 4.320 -0.488 0.000 0.218 161 A C 1.285 178.899 177.584 0.049 0.000 1.163 161 A CA 1.450 53.536 52.037 0.083 0.000 0.652 161 A CB -0.170 18.908 19.000 0.131 0.000 0.808 161 A HN 0.928 nan 8.150 nan 0.000 0.449 162 V N 2.026 121.890 119.914 -0.084 0.000 2.470 162 V HA 0.075 3.903 4.120 -0.488 0.000 0.276 162 V C 0.460 176.467 176.094 -0.147 0.000 1.040 162 V CA -0.452 61.772 62.300 -0.127 0.000 1.008 162 V CB 0.921 32.567 31.823 -0.296 0.000 0.990 162 V HN 0.441 nan 8.190 nan 0.000 0.477 163 E N 7.700 127.868 120.200 -0.055 0.000 2.290 163 E HA 0.142 4.199 4.350 -0.488 0.000 0.277 163 E C -1.686 174.880 176.600 -0.057 0.000 1.035 163 E CA -1.844 54.512 56.400 -0.074 0.000 0.873 163 E CB 1.769 31.503 29.700 0.057 0.000 1.029 163 E HN 0.369 nan 8.360 nan 0.000 0.419 164 P HA -0.153 nan 4.420 nan 0.000 0.216 164 P C 1.140 178.605 177.300 0.274 0.000 1.150 164 P CA 0.981 64.019 63.100 -0.104 0.000 0.843 164 P CB -0.043 31.298 31.700 -0.598 0.000 0.787 165 F N 0.522 120.609 119.950 0.228 0.000 2.146 165 F HA -0.056 4.179 4.527 -0.486 0.000 0.298 165 F C 2.205 178.100 175.800 0.158 0.000 1.096 165 F CA 1.343 59.551 58.000 0.346 0.000 1.275 165 F CB -0.768 38.439 39.000 0.345 0.000 1.008 165 F HN -0.144 nan 8.300 nan 0.000 0.480 166 A N -0.294 122.731 122.820 0.340 0.000 1.933 166 A HA -0.215 3.812 4.320 -0.488 0.000 0.218 166 A C 2.085 179.720 177.584 0.085 0.000 1.175 166 A CA 1.428 53.560 52.037 0.160 0.000 0.628 166 A CB -1.549 17.530 19.000 0.130 0.000 0.814 166 A HN 0.477 nan 8.150 nan 0.000 0.444 167 F N 0.789 120.706 119.950 -0.054 0.000 2.269 167 F HA -0.094 4.140 4.527 -0.488 0.000 0.301 167 F C 1.765 177.474 175.800 -0.152 0.000 1.082 167 F CA 0.966 58.910 58.000 -0.093 0.000 1.360 167 F CB -0.341 38.603 39.000 -0.093 0.000 1.041 167 F HN 0.144 nan 8.300 nan 0.000 0.512 168 L N -0.887 120.182 121.223 -0.256 0.000 2.263 168 L HA -0.274 3.773 4.340 -0.488 0.000 0.216 168 L C 2.233 178.849 176.870 -0.424 0.000 1.111 168 L CA 1.278 55.803 54.840 -0.525 0.000 0.773 168 L CB -0.922 40.593 42.059 -0.906 0.000 0.906 168 L HN 0.034 nan 8.230 nan 0.000 0.439 169 S N -1.447 114.126 115.700 -0.211 0.000 2.527 169 S HA 0.013 4.190 4.470 -0.488 0.000 0.222 169 S C 0.704 175.204 174.600 -0.166 0.000 0.985 169 S CA 0.360 58.533 58.200 -0.045 0.000 0.921 169 S CB -0.056 63.174 63.200 0.049 0.000 0.772 169 S HN 0.320 nan 8.310 nan 0.000 0.529 170 E N 1.803 121.792 120.200 -0.351 0.000 2.283 170 E HA 0.209 4.266 4.350 -0.488 0.000 0.267 170 E C -0.868 175.506 176.600 -0.377 0.000 1.045 170 E CA -0.522 55.653 56.400 -0.375 0.000 0.884 170 E CB 0.372 29.746 29.700 -0.544 0.000 1.106 170 E HN 0.017 nan 8.360 nan 0.000 0.408 171 D N 1.216 121.460 120.400 -0.259 0.000 2.455 171 D HA 0.341 4.688 4.640 -0.488 0.000 0.234 171 D C -0.650 175.520 176.300 -0.216 0.000 1.224 171 D CA 0.217 54.095 54.000 -0.203 0.000 0.999 171 D CB 0.045 40.774 40.800 -0.118 0.000 1.072 171 D HN 0.351 nan 8.370 nan 0.000 0.514 172 A N 1.380 124.028 122.820 -0.287 0.000 2.486 172 A HA 0.565 4.592 4.320 -0.488 0.000 0.300 172 A C 0.271 177.729 177.584 -0.210 0.000 1.048 172 A CA -0.788 51.096 52.037 -0.254 0.000 0.696 172 A CB 1.356 20.078 19.000 -0.463 0.000 1.278 172 A HN 0.311 nan 8.150 nan 0.000 0.405 173 S N 0.955 116.567 115.700 -0.146 0.000 2.624 173 S HA 0.491 4.668 4.470 -0.488 0.000 0.263 173 S C 1.297 175.752 174.600 -0.242 0.000 1.287 173 S CA 0.116 58.197 58.200 -0.199 0.000 0.990 173 S CB 1.120 64.201 63.200 -0.198 0.000 0.950 173 S HN 1.987 nan 8.310 nan 0.000 0.561 174 A N 0.714 123.297 122.820 -0.395 0.000 2.178 174 A HA 0.215 4.242 4.320 -0.488 0.000 0.218 174 A C 2.113 179.477 177.584 -0.367 0.000 1.157 174 A CA 1.477 53.263 52.037 -0.417 0.000 0.689 174 A CB -1.402 17.247 19.000 -0.584 0.000 0.787 174 A HN 1.196 nan 8.150 nan 0.000 0.465 175 A N -0.108 122.483 122.820 -0.382 0.000 1.871 175 A HA 0.007 4.034 4.320 -0.488 0.000 0.211 175 A C 1.820 179.445 177.584 0.068 0.000 1.207 175 A CA 1.050 53.104 52.037 0.028 0.000 0.620 175 A CB -0.439 18.634 19.000 0.123 0.000 0.860 175 A HN 0.524 nan 8.150 nan 0.000 0.450 176 E N 0.091 120.318 120.200 0.046 0.000 2.130 176 E HA -0.286 3.771 4.350 -0.488 0.000 0.196 176 E C 2.212 178.941 176.600 0.214 0.000 0.998 176 E CA 1.616 58.096 56.400 0.134 0.000 0.806 176 E CB -0.259 29.574 29.700 0.222 0.000 0.738 176 E HN 0.694 nan 8.360 nan 0.000 0.459 177 Q N 0.170 120.087 119.800 0.196 0.000 2.079 177 Q HA -0.158 3.890 4.340 -0.488 0.000 0.200 177 Q C 2.370 178.407 176.000 0.061 0.000 0.974 177 Q CA 0.889 56.812 55.803 0.201 0.000 0.840 177 Q CB -0.133 28.629 28.738 0.040 0.000 0.898 177 Q HN 0.201 nan 8.270 nan 0.000 0.430 178 L N 0.666 121.903 121.223 0.023 0.000 2.083 178 L HA -0.105 3.942 4.340 -0.488 0.000 0.209 178 L C 2.112 178.967 176.870 -0.026 0.000 1.083 178 L CA 2.030 56.867 54.840 -0.005 0.000 0.752 178 L CB -0.793 41.296 42.059 0.051 0.000 0.899 178 L HN 0.100 nan 8.230 nan 0.000 0.433 179 A N -1.068 121.743 122.820 -0.016 0.000 1.858 179 A HA -0.293 3.735 4.320 -0.488 0.000 0.216 179 A C 2.561 180.066 177.584 -0.131 0.000 1.190 179 A CA 1.813 53.814 52.037 -0.060 0.000 0.617 179 A CB -1.672 17.299 19.000 -0.049 0.000 0.827 179 A HN 0.686 nan 8.150 nan 0.000 0.443 180 C N -0.637 118.548 119.300 -0.192 0.000 2.413 180 C HA 0.055 4.222 4.460 -0.488 0.000 0.276 180 C C 3.137 177.951 174.990 -0.293 0.000 1.236 180 C CA 1.435 60.251 59.018 -0.336 0.000 1.735 180 C CB -1.326 26.055 27.740 -0.599 0.000 2.031 180 C HN 0.664 nan 8.230 nan 0.000 0.474 181 A N -0.047 122.654 122.820 -0.200 0.000 1.968 181 A HA -0.086 3.941 4.320 -0.488 0.000 0.217 181 A C 2.421 179.947 177.584 -0.096 0.000 1.169 181 A CA 1.407 53.327 52.037 -0.194 0.000 0.638 181 A CB -0.734 18.270 19.000 0.007 0.000 0.812 181 A HN 0.734 nan 8.150 nan 0.000 0.446 182 R N -0.524 119.920 120.500 -0.093 0.000 2.075 182 R HA -0.104 3.943 4.340 -0.488 0.000 0.232 182 R C 2.047 178.300 176.300 -0.078 0.000 1.126 182 R CA 1.950 58.000 56.100 -0.083 0.000 0.963 182 R CB -0.520 29.732 30.300 -0.081 0.000 0.858 182 R HN 0.499 nan 8.270 nan 0.000 0.435 183 T N 0.553 115.040 114.554 -0.111 0.000 2.708 183 T HA -0.157 3.900 4.350 -0.488 0.000 0.266 183 T C 1.765 176.413 174.700 -0.087 0.000 1.037 183 T CA 1.598 63.638 62.100 -0.100 0.000 1.146 183 T CB -0.262 68.526 68.868 -0.132 0.000 0.865 183 T HN 0.221 nan 8.240 nan 0.000 0.435 184 R N 1.628 122.029 120.500 -0.164 0.000 2.073 184 R HA 0.052 4.100 4.340 -0.488 0.000 0.234 184 R C 2.458 178.822 176.300 0.106 0.000 1.134 184 R CA 1.681 57.679 56.100 -0.170 0.000 0.952 184 R CB -0.936 29.006 30.300 -0.597 0.000 0.850 184 R HN 0.352 nan 8.270 nan 0.000 0.433 185 A N -0.014 122.928 122.820 0.204 0.000 1.972 185 A HA -0.204 3.824 4.320 -0.488 0.000 0.219 185 A C 2.065 179.806 177.584 0.261 0.000 1.169 185 A CA 1.587 53.843 52.037 0.365 0.000 0.635 185 A CB -0.449 18.542 19.000 -0.015 0.000 0.810 185 A HN 0.534 nan 8.150 nan 0.000 0.446 186 Q N -0.907 118.963 119.800 0.116 0.000 2.083 186 Q HA -0.020 4.028 4.340 -0.488 0.000 0.198 186 Q C 2.436 178.506 176.000 0.117 0.000 0.969 186 Q CA 1.223 57.082 55.803 0.093 0.000 0.838 186 Q CB -0.316 28.438 28.738 0.026 0.000 0.900 186 Q HN 0.687 nan 8.270 nan 0.000 0.436 187 A N 0.697 123.578 122.820 0.101 0.000 1.898 187 A HA -0.162 3.865 4.320 -0.488 0.000 0.216 187 A C 1.988 179.640 177.584 0.114 0.000 1.181 187 A CA 1.010 53.095 52.037 0.080 0.000 0.620 187 A CB -0.571 18.457 19.000 0.045 0.000 0.819 187 A HN 0.307 nan 8.150 nan 0.000 0.442 188 I N -0.283 120.403 120.570 0.193 0.000 2.142 188 I HA -0.292 3.585 4.170 -0.488 0.000 0.240 188 I C 2.987 179.206 176.117 0.170 0.000 1.078 188 I CA 1.157 62.570 61.300 0.189 0.000 1.343 188 I CB -0.367 37.811 38.000 0.296 0.000 1.046 188 I HN 0.365 nan 8.210 nan 0.000 0.405 189 A N 0.549 123.566 122.820 0.329 0.000 1.978 189 A HA -0.162 3.865 4.320 -0.488 0.000 0.220 189 A C 2.459 180.128 177.584 0.143 0.000 1.170 189 A CA 1.913 54.135 52.037 0.310 0.000 0.636 189 A CB -0.669 18.567 19.000 0.393 0.000 0.810 189 A HN 0.475 nan 8.150 nan 0.000 0.448 190 A N 0.035 122.920 122.820 0.108 0.000 1.898 190 A HA 0.013 4.040 4.320 -0.488 0.000 0.214 190 A C 2.365 179.973 177.584 0.040 0.000 1.183 190 A CA 1.808 53.883 52.037 0.062 0.000 0.622 190 A CB -0.846 18.183 19.000 0.049 0.000 0.824 190 A HN 1.029 nan 8.150 nan 0.000 0.444 191 S N -1.332 114.390 115.700 0.037 0.000 2.603 191 S HA 0.221 4.399 4.470 -0.488 0.000 0.229 191 S C 0.371 174.973 174.600 0.003 0.000 0.972 191 S CA 0.410 58.621 58.200 0.019 0.000 0.935 191 S CB -0.487 62.724 63.200 0.020 0.000 0.769 191 S HN 0.171 nan 8.310 nan 0.000 0.536 192 V N 0.672 120.585 119.914 -0.002 0.000 2.960 192 V HA 0.633 4.461 4.120 -0.488 0.000 0.315 192 V C -0.612 175.471 176.094 -0.020 0.000 1.087 192 V CA -1.195 61.087 62.300 -0.029 0.000 0.982 192 V CB 2.195 33.968 31.823 -0.082 0.000 1.039 192 V HN 0.308 nan 8.190 nan 0.000 0.437 193 R N 3.499 123.981 120.500 -0.030 0.000 2.358 193 R HA 0.540 4.587 4.340 -0.488 0.000 0.309 193 R C -2.618 173.661 176.300 -0.035 0.000 1.026 193 R CA -1.469 54.618 56.100 -0.021 0.000 0.909 193 R CB 1.500 31.791 30.300 -0.016 0.000 1.153 193 R HN 0.487 nan 8.270 nan 0.000 0.515 194 P HA -0.044 nan 4.420 nan 0.000 0.269 194 P C -0.531 176.745 177.300 -0.041 0.000 1.211 194 P CA -0.083 62.992 63.100 -0.042 0.000 0.781 194 P CB 0.597 32.288 31.700 -0.014 0.000 0.877 195 L N 0.691 121.882 121.223 -0.054 0.000 2.418 195 L HA 0.352 4.399 4.340 -0.488 0.000 0.265 195 L C 0.820 177.670 176.870 -0.034 0.000 1.143 195 L CA -1.013 53.798 54.840 -0.048 0.000 0.809 195 L CB 0.167 42.188 42.059 -0.064 0.000 1.124 195 L HN 0.436 nan 8.230 nan 0.000 0.456 196 A N 3.787 126.591 122.820 -0.027 0.000 2.592 196 A HA 0.069 4.096 4.320 -0.488 0.000 0.250 196 A C -1.997 175.577 177.584 -0.018 0.000 1.017 196 A CA -0.680 51.346 52.037 -0.018 0.000 0.794 196 A CB -1.157 17.833 19.000 -0.016 0.000 0.917 196 A HN 0.445 nan 8.150 nan 0.000 0.515 197 P HA 0.238 nan 4.420 nan 0.000 0.269 197 P C 0.094 177.392 177.300 -0.004 0.000 1.209 197 P CA 0.143 63.241 63.100 -0.004 0.000 0.776 197 P CB 1.084 32.789 31.700 0.008 0.000 0.876 198 T N 1.015 115.566 114.554 -0.005 0.000 2.716 198 T HA 0.566 4.623 4.350 -0.488 0.000 0.286 198 T C -0.802 173.904 174.700 0.009 0.000 1.052 198 T CA -0.699 61.399 62.100 -0.003 0.000 1.024 198 T CB 1.407 70.264 68.868 -0.018 0.000 1.349 198 T HN 0.335 nan 8.240 nan 0.000 0.525 199 R N 0.287 120.797 120.500 0.016 0.000 2.837 199 R HA 0.654 4.701 4.340 -0.488 0.000 0.271 199 R C -1.071 175.247 176.300 0.030 0.000 0.993 199 R CA -0.792 55.330 56.100 0.036 0.000 0.931 199 R CB 1.938 32.272 30.300 0.058 0.000 1.206 199 R HN 0.436 nan 8.270 nan 0.000 0.474 200 V N 3.863 123.802 119.914 0.042 0.000 2.644 200 V HA -0.056 3.771 4.120 -0.488 0.000 0.305 200 V C 0.817 176.965 176.094 0.090 0.000 1.053 200 V CA 0.319 62.640 62.300 0.035 0.000 1.186 200 V CB -0.058 31.799 31.823 0.057 0.000 0.895 200 V HN 0.714 nan 8.190 nan 0.000 0.490 201 R N 3.881 124.430 120.500 0.081 0.000 2.640 201 R HA 0.087 4.134 4.340 -0.488 0.000 0.270 201 R C 0.860 177.346 176.300 0.310 0.000 1.024 201 R CA 0.292 56.484 56.100 0.153 0.000 1.085 201 R CB 0.208 30.589 30.300 0.135 0.000 0.963 201 R HN 0.626 nan 8.270 nan 0.000 0.426 202 S N 1.341 117.174 115.700 0.222 0.000 2.357 202 S HA -0.017 4.160 4.470 -0.488 0.000 0.221 202 S C 0.362 175.068 174.600 0.178 0.000 1.031 202 S CA 1.000 59.314 58.200 0.189 0.000 0.982 202 S CB 0.107 63.357 63.200 0.083 0.000 0.853 202 S HN 0.495 nan 8.310 nan 0.000 0.458 203 K N 1.239 121.748 120.400 0.182 0.000 2.425 203 K HA 0.562 4.589 4.320 -0.488 0.000 0.259 203 K C 0.114 176.873 176.600 0.266 0.000 0.978 203 K CA 0.065 56.434 56.287 0.138 0.000 0.883 203 K CB 1.222 33.755 32.500 0.056 0.000 1.110 203 K HN 0.404 nan 8.250 nan 0.000 0.436 204 G N 3.808 112.873 108.800 0.442 0.000 2.270 204 G HA2 -0.089 3.579 3.960 -0.488 0.000 0.268 204 G HA3 -0.089 3.579 3.960 -0.488 0.000 0.268 204 G C -3.025 172.201 174.900 0.543 0.000 1.312 204 G CA -1.061 44.260 45.100 0.368 0.000 1.050 204 G HN 0.301 nan 8.290 nan 0.000 0.474 205 P HA 0.233 nan 4.420 nan 0.000 0.255 205 P C 0.004 177.364 177.300 0.100 0.000 1.173 205 P CA 0.166 63.399 63.100 0.223 0.000 0.780 205 P CB 0.410 32.202 31.700 0.154 0.000 0.758 206 L N 5.727 126.903 121.223 -0.079 0.000 2.410 206 L HA 0.077 4.124 4.340 -0.488 0.000 0.273 206 L C 0.907 177.727 176.870 -0.085 0.000 1.144 206 L CA 0.317 54.957 54.840 -0.332 0.000 0.863 206 L CB 0.025 41.654 42.059 -0.717 0.000 1.140 206 L HN 0.237 nan 8.230 nan 0.000 0.463 207 R N 4.809 125.278 120.500 -0.051 0.000 2.205 207 R HA 0.423 4.470 4.340 -0.488 0.000 0.342 207 R C -1.154 175.204 176.300 0.096 0.000 1.058 207 R CA -0.624 55.520 56.100 0.073 0.000 0.904 207 R CB 0.699 31.005 30.300 0.009 0.000 1.089 207 R HN 0.391 nan 8.270 nan 0.000 0.471 208 V N 2.379 122.431 119.914 0.230 0.000 2.370 208 V HA 0.551 4.378 4.120 -0.488 0.000 0.283 208 V C 0.634 176.965 176.094 0.394 0.000 1.023 208 V CA -0.769 61.683 62.300 0.253 0.000 0.857 208 V CB 1.692 33.694 31.823 0.298 0.000 0.985 208 V HN 0.911 nan 8.190 nan 0.000 0.443 209 G N 3.143 112.117 108.800 0.289 0.000 2.453 209 G HA2 0.790 4.457 3.960 -0.488 0.000 0.323 209 G HA3 0.790 4.457 3.960 -0.488 0.000 0.323 209 G C -1.511 173.569 174.900 0.300 0.000 1.198 209 G CA -0.486 44.918 45.100 0.506 0.000 0.959 209 G HN 0.434 nan 8.290 nan 0.000 0.482 210 F N 0.532 120.893 119.950 0.685 0.000 2.557 210 F HA 0.495 4.729 4.527 -0.489 0.000 0.316 210 F C 0.017 176.272 175.800 0.758 0.000 1.141 210 F CA -1.016 57.426 58.000 0.737 0.000 0.922 210 F CB 2.658 42.105 39.000 0.746 0.000 1.194 210 F HN 0.408 nan 8.300 nan 0.000 0.443 211 V N 2.368 122.754 119.914 0.786 0.000 2.459 211 V HA 0.901 4.728 4.120 -0.488 0.000 0.295 211 V C -0.843 175.452 176.094 0.335 0.000 1.029 211 V CA 0.013 62.674 62.300 0.602 0.000 0.874 211 V CB 1.578 33.671 31.823 0.451 0.000 0.985 211 V HN 0.799 nan 8.190 nan 0.000 0.438 212 S N 3.425 119.151 115.700 0.044 0.000 2.552 212 S HA 0.413 4.591 4.470 -0.488 0.000 0.272 212 S C -0.007 174.394 174.600 -0.332 0.000 1.150 212 S CA -0.164 57.833 58.200 -0.339 0.000 0.849 212 S CB 1.577 64.183 63.200 -0.990 0.000 1.113 212 S HN 1.120 nan 8.310 nan 0.000 0.458 213 N N 1.399 119.955 118.700 -0.241 0.000 2.235 213 N HA 0.246 4.694 4.740 -0.488 0.000 0.209 213 N C 0.779 176.117 175.510 -0.286 0.000 1.122 213 N CA -0.256 52.681 53.050 -0.188 0.000 0.845 213 N CB 0.485 38.898 38.487 -0.123 0.000 1.004 213 N HN 0.498 nan 8.380 nan 0.000 0.499 214 G N 0.116 108.718 108.800 -0.330 0.000 3.993 214 G HA2 0.208 3.875 3.960 -0.488 0.000 0.294 214 G HA3 0.208 3.875 3.960 -0.488 0.000 0.294 214 G C -0.735 174.177 174.900 0.020 0.000 1.043 214 G CA -0.418 44.565 45.100 -0.195 0.000 0.839 214 G HN 0.109 nan 8.290 nan 0.000 0.516 215 F N 2.080 122.072 119.950 0.070 0.000 2.506 215 F HA 0.503 4.738 4.527 -0.486 0.000 0.369 215 F C 1.210 177.056 175.800 0.077 0.000 1.114 215 F CA 0.367 58.398 58.000 0.053 0.000 1.121 215 F CB 0.439 39.446 39.000 0.011 0.000 1.104 215 F HN 0.400 nan 8.300 nan 0.000 0.564 216 G N 2.071 111.034 108.800 0.271 0.000 2.255 216 G HA2 0.217 3.884 3.960 -0.488 0.000 0.216 216 G HA3 0.217 3.884 3.960 -0.488 0.000 0.216 216 G C -0.575 174.386 174.900 0.101 0.000 1.307 216 G CA -0.440 44.760 45.100 0.167 0.000 1.162 216 G HN 0.789 nan 8.290 nan 0.000 0.494 217 A N 0.972 123.777 122.820 -0.025 0.000 3.074 217 A HA 0.604 4.632 4.320 -0.488 0.000 0.251 217 A C 0.466 177.768 177.584 -0.470 0.000 1.695 217 A CA 0.446 52.359 52.037 -0.206 0.000 1.343 217 A CB -1.044 17.838 19.000 -0.195 0.000 1.078 217 A HN 0.694 nan 8.150 nan 0.000 0.644 218 H N -1.319 117.747 119.070 -0.005 0.000 2.941 218 H HA 0.256 4.520 4.556 -0.487 0.000 0.344 218 H C -2.033 173.286 175.328 -0.015 0.000 1.235 218 H CA -1.719 54.326 56.048 -0.006 0.000 1.149 218 H CB 1.073 30.836 29.762 0.002 0.000 1.885 218 H HN -0.001 nan 8.280 nan 0.000 0.558 219 P HA -0.164 nan 4.420 nan 0.000 0.213 219 P C 1.376 178.707 177.300 0.053 0.000 1.170 219 P CA 2.143 65.291 63.100 0.080 0.000 0.902 219 P CB -0.044 31.724 31.700 0.114 0.000 0.789 220 T N -0.992 113.597 114.554 0.059 0.000 2.607 220 T HA -0.155 3.902 4.350 -0.488 0.000 0.267 220 T C 1.962 176.730 174.700 0.114 0.000 1.049 220 T CA 2.085 64.205 62.100 0.034 0.000 1.162 220 T CB -1.373 67.459 68.868 -0.060 0.000 0.863 220 T HN 0.225 nan 8.240 nan 0.000 0.424 221 G N 0.965 109.886 108.800 0.201 0.000 2.422 221 G HA2 -0.109 3.559 3.960 -0.488 0.000 0.218 221 G HA3 -0.109 3.559 3.960 -0.488 0.000 0.218 221 G C 1.476 176.430 174.900 0.090 0.000 1.140 221 G CA 0.592 45.867 45.100 0.293 0.000 0.775 221 G HN 0.437 nan 8.290 nan 0.000 0.545 222 L N 0.161 121.393 121.223 0.014 0.000 2.291 222 L HA 0.246 4.294 4.340 -0.488 0.000 0.214 222 L C 2.266 179.058 176.870 -0.130 0.000 1.120 222 L CA 1.206 55.987 54.840 -0.100 0.000 0.799 222 L CB -0.219 41.746 42.059 -0.157 0.000 0.925 222 L HN 0.215 nan 8.230 nan 0.000 0.446 223 L N -1.433 119.728 121.223 -0.104 0.000 2.357 223 L HA 0.053 4.100 4.340 -0.488 0.000 0.211 223 L C 1.996 178.726 176.870 -0.234 0.000 1.075 223 L CA 0.986 55.717 54.840 -0.181 0.000 0.830 223 L CB -0.696 41.249 42.059 -0.191 0.000 0.996 223 L HN 0.323 nan 8.230 nan 0.000 0.467 224 T N -3.912 110.554 114.554 -0.147 0.000 3.129 224 T HA 0.023 4.080 4.350 -0.488 0.000 0.251 224 T C 1.504 176.097 174.700 -0.179 0.000 1.117 224 T CA 0.405 62.370 62.100 -0.224 0.000 1.034 224 T CB 0.295 69.139 68.868 -0.040 0.000 0.968 224 T HN 0.088 nan 8.240 nan 0.000 0.526 225 V N 1.212 121.070 119.914 -0.092 0.000 2.500 225 V HA 0.290 4.117 4.120 -0.488 0.000 0.243 225 V C 2.799 178.843 176.094 -0.084 0.000 1.039 225 V CA 1.412 63.703 62.300 -0.014 0.000 1.053 225 V CB -0.766 31.037 31.823 -0.033 0.000 0.695 225 V HN 0.544 nan 8.190 nan 0.000 0.463 226 A N 0.038 122.761 122.820 -0.161 0.000 1.972 226 A HA -0.143 3.885 4.320 -0.488 0.000 0.219 226 A C 2.085 179.545 177.584 -0.207 0.000 1.169 226 A CA 2.042 53.978 52.037 -0.168 0.000 0.635 226 A CB -0.646 18.235 19.000 -0.199 0.000 0.810 226 A HN 0.578 nan 8.150 nan 0.000 0.446 227 L N -1.351 119.671 121.223 -0.334 0.000 2.005 227 L HA -0.017 4.031 4.340 -0.488 0.000 0.207 227 L C 2.083 178.714 176.870 -0.399 0.000 1.072 227 L CA 1.927 56.495 54.840 -0.453 0.000 0.744 227 L CB -1.114 40.515 42.059 -0.717 0.000 0.895 227 L HN 0.320 nan 8.230 nan 0.000 0.433 228 F N 0.534 120.332 119.950 -0.253 0.000 2.202 228 F HA -0.192 4.042 4.527 -0.488 0.000 0.301 228 F C 2.538 178.240 175.800 -0.164 0.000 1.082 228 F CA 1.645 59.501 58.000 -0.241 0.000 1.313 228 F CB -0.598 38.217 39.000 -0.309 0.000 1.024 228 F HN 0.277 nan 8.300 nan 0.000 0.495 229 E N -0.419 119.781 120.200 0.000 0.000 2.076 229 E HA -0.084 3.974 4.350 -0.488 0.000 0.190 229 E C 2.410 178.996 176.600 -0.023 0.000 0.979 229 E CA 0.821 57.209 56.400 -0.019 0.000 0.807 229 E CB -0.242 29.434 29.700 -0.039 0.000 0.761 229 E HN 0.299 nan 8.360 nan 0.000 0.454 230 A N 0.757 123.550 122.820 -0.045 0.000 1.933 230 A HA -0.149 3.878 4.320 -0.488 0.000 0.218 230 A C 2.098 179.685 177.584 0.005 0.000 1.175 230 A CA 1.013 53.037 52.037 -0.022 0.000 0.628 230 A CB -0.535 18.446 19.000 -0.031 0.000 0.814 230 A HN 0.157 nan 8.150 nan 0.000 0.444 231 L N -1.127 120.098 121.223 0.003 0.000 2.109 231 L HA -0.184 3.864 4.340 -0.488 0.000 0.207 231 L C 2.813 179.718 176.870 0.059 0.000 1.086 231 L CA 1.496 56.367 54.840 0.051 0.000 0.760 231 L CB -0.522 41.580 42.059 0.072 0.000 0.910 231 L HN 0.533 nan 8.230 nan 0.000 0.437 232 Q N 0.516 120.341 119.800 0.041 0.000 2.135 232 Q HA -0.263 3.784 4.340 -0.488 0.000 0.204 232 Q C 2.341 178.354 176.000 0.022 0.000 0.981 232 Q CA 1.851 57.669 55.803 0.025 0.000 0.856 232 Q CB 0.107 28.844 28.738 -0.001 0.000 0.902 232 Q HN 0.398 nan 8.270 nan 0.000 0.425 233 R N -0.723 119.789 120.500 0.019 0.000 2.112 233 R HA 0.016 4.064 4.340 -0.488 0.000 0.216 233 R C 1.875 178.191 176.300 0.027 0.000 1.080 233 R CA 0.834 56.944 56.100 0.017 0.000 0.996 233 R CB 0.187 30.492 30.300 0.008 0.000 0.902 233 R HN 0.087 nan 8.270 nan 0.000 0.449 234 R N -0.696 119.825 120.500 0.036 0.000 2.167 234 R HA 0.183 4.230 4.340 -0.488 0.000 0.201 234 R C 0.363 176.698 176.300 0.058 0.000 1.024 234 R CA 0.155 56.282 56.100 0.044 0.000 1.053 234 R CB 0.408 30.736 30.300 0.046 0.000 0.987 234 R HN 0.078 nan 8.270 nan 0.000 0.493 235 Q N 1.522 121.365 119.800 0.071 0.000 2.901 235 Q HA 0.158 4.205 4.340 -0.488 0.000 0.265 235 Q C -1.891 174.160 176.000 0.085 0.000 1.263 235 Q CA -1.679 54.176 55.803 0.087 0.000 1.088 235 Q CB 1.276 30.080 28.738 0.110 0.000 1.339 235 Q HN 0.174 nan 8.270 nan 0.000 0.546 236 P HA -0.141 nan 4.420 nan 0.000 0.218 236 P C 0.371 177.725 177.300 0.090 0.000 1.149 236 P CA 0.957 64.099 63.100 0.070 0.000 0.817 236 P CB 0.511 32.247 31.700 0.060 0.000 0.785 237 D N -0.113 120.355 120.400 0.113 0.000 2.309 237 D HA -0.026 4.321 4.640 -0.488 0.000 0.212 237 D C 0.909 177.290 176.300 0.135 0.000 0.968 237 D CA 0.680 54.773 54.000 0.155 0.000 0.882 237 D CB -0.213 40.716 40.800 0.215 0.000 0.918 237 D HN 0.292 nan 8.370 nan 0.000 0.503 238 L N 0.853 122.140 121.223 0.107 0.000 2.289 238 L HA 0.280 4.327 4.340 -0.488 0.000 0.285 238 L C 0.455 177.392 176.870 0.112 0.000 1.049 238 L CA -0.419 54.477 54.840 0.094 0.000 0.804 238 L CB 1.465 43.593 42.059 0.116 0.000 1.195 238 L HN -0.248 nan 8.230 nan 0.000 0.428 239 Q N 3.809 123.687 119.800 0.129 0.000 2.398 239 Q HA 0.352 4.400 4.340 -0.488 0.000 0.251 239 Q C -0.964 175.161 176.000 0.209 0.000 0.999 239 Q CA -0.686 55.200 55.803 0.139 0.000 0.874 239 Q CB 1.028 29.886 28.738 0.199 0.000 1.215 239 Q HN 0.495 nan 8.270 nan 0.000 0.470 240 M N 4.134 123.785 119.600 0.084 0.000 2.084 240 M HA 0.276 4.464 4.480 -0.488 0.000 0.351 240 M C -0.773 175.457 176.300 -0.117 0.000 1.240 240 M CA 0.001 55.390 55.300 0.149 0.000 1.083 240 M CB 0.646 33.333 32.600 0.145 0.000 1.593 240 M HN 0.536 nan 8.290 nan 0.000 0.463 241 H N 3.848 122.999 119.070 0.135 0.000 2.547 241 H HA 0.447 4.710 4.556 -0.488 0.000 0.342 241 H C -1.134 174.176 175.328 -0.031 0.000 1.048 241 H CA -0.802 55.218 56.048 -0.046 0.000 1.204 241 H CB 2.194 31.977 29.762 0.035 0.000 1.493 241 H HN 0.419 nan 8.280 nan 0.000 0.511 242 L N 4.153 125.215 121.223 -0.269 0.000 2.287 242 L HA 0.262 4.309 4.340 -0.488 0.000 0.287 242 L C -0.701 176.075 176.870 -0.156 0.000 1.022 242 L CA -0.227 54.469 54.840 -0.239 0.000 0.814 242 L CB 0.441 42.019 42.059 -0.803 0.000 1.217 242 L HN 0.446 nan 8.230 nan 0.000 0.420 243 F N 3.315 123.514 119.950 0.416 0.000 2.313 243 F HA 0.584 4.818 4.527 -0.488 0.000 0.369 243 F C 0.659 176.707 175.800 0.414 0.000 1.109 243 F CA -0.611 57.616 58.000 0.378 0.000 1.132 243 F CB 0.969 40.144 39.000 0.291 0.000 1.291 243 F HN 0.507 nan 8.300 nan 0.000 0.496 244 A N 1.727 124.818 122.820 0.452 0.000 2.269 244 A HA 0.457 4.484 4.320 -0.488 0.000 0.302 244 A C 0.957 178.688 177.584 0.245 0.000 1.266 244 A CA -0.337 51.948 52.037 0.414 0.000 0.894 244 A CB 0.084 19.293 19.000 0.348 0.000 1.147 244 A HN 0.786 nan 8.150 nan 0.000 0.537 245 T N -0.695 113.959 114.554 0.166 0.000 3.122 245 T HA 0.277 4.334 4.350 -0.488 0.000 0.250 245 T C 0.590 175.323 174.700 0.054 0.000 1.067 245 T CA 0.450 62.614 62.100 0.105 0.000 0.966 245 T CB -0.631 68.290 68.868 0.088 0.000 1.002 245 T HN 1.016 nan 8.240 nan 0.000 0.542 246 S N -0.321 115.411 115.700 0.052 0.000 2.570 246 S HA 0.791 4.969 4.470 -0.488 0.000 0.286 246 S C 0.293 174.931 174.600 0.062 0.000 1.099 246 S CA -0.742 57.476 58.200 0.030 0.000 0.913 246 S CB 1.552 64.737 63.200 -0.026 0.000 1.085 246 S HN 0.396 nan 8.310 nan 0.000 0.480 247 G N 0.184 109.015 108.800 0.051 0.000 2.616 247 G HA2 0.357 4.024 3.960 -0.488 0.000 0.268 247 G HA3 0.357 4.024 3.960 -0.488 0.000 0.268 247 G C -0.607 174.330 174.900 0.062 0.000 1.213 247 G CA -0.525 44.606 45.100 0.052 0.000 0.926 247 G HN 0.807 nan 8.290 nan 0.000 0.523 248 D N -0.186 120.242 120.400 0.046 0.000 2.389 248 D HA 0.027 4.374 4.640 -0.488 0.000 0.263 248 D C 0.899 177.226 176.300 0.044 0.000 1.255 248 D CA -0.315 53.709 54.000 0.041 0.000 0.914 248 D CB 0.686 41.498 40.800 0.020 0.000 1.116 248 D HN 0.340 nan 8.370 nan 0.000 0.502 249 D N 2.700 123.136 120.400 0.059 0.000 2.325 249 D HA 0.094 4.441 4.640 -0.488 0.000 0.225 249 D C 1.427 177.745 176.300 0.029 0.000 1.096 249 D CA 0.263 54.294 54.000 0.052 0.000 0.844 249 D CB -0.359 40.486 40.800 0.075 0.000 0.925 249 D HN 0.567 nan 8.370 nan 0.000 0.513 250 G N 0.932 109.745 108.800 0.022 0.000 2.175 250 G HA2 -0.339 3.328 3.960 -0.488 0.000 0.265 250 G HA3 -0.339 3.328 3.960 -0.488 0.000 0.265 250 G C 0.458 175.363 174.900 0.009 0.000 0.979 250 G CA 0.742 45.849 45.100 0.012 0.000 0.663 250 G HN 0.794 nan 8.290 nan 0.000 0.533 251 S N -0.587 115.119 115.700 0.010 0.000 2.579 251 S HA 0.478 4.655 4.470 -0.488 0.000 0.275 251 S C 1.652 176.252 174.600 0.000 0.000 1.345 251 S CA 0.892 59.094 58.200 0.004 0.000 1.031 251 S CB 1.530 64.729 63.200 -0.002 0.000 0.892 251 S HN 1.404 nan 8.310 nan 0.000 0.529 252 T N 0.726 115.280 114.554 -0.001 0.000 2.995 252 T HA 0.004 4.061 4.350 -0.488 0.000 0.269 252 T C 1.612 176.302 174.700 -0.016 0.000 1.091 252 T CA 0.726 62.822 62.100 -0.007 0.000 1.128 252 T CB -0.735 68.132 68.868 -0.001 0.000 0.891 252 T HN 0.548 nan 8.240 nan 0.000 0.492 253 L N 0.383 121.597 121.223 -0.015 0.000 1.989 253 L HA -0.032 4.015 4.340 -0.488 0.000 0.211 253 L C 3.146 180.006 176.870 -0.016 0.000 1.071 253 L CA 1.679 56.508 54.840 -0.019 0.000 0.749 253 L CB -0.539 41.511 42.059 -0.016 0.000 0.890 253 L HN 0.234 nan 8.230 nan 0.000 0.431 254 R N -0.034 120.467 120.500 0.002 0.000 2.091 254 R HA -0.154 3.893 4.340 -0.488 0.000 0.238 254 R C 2.170 178.444 176.300 -0.044 0.000 1.136 254 R CA 2.289 58.387 56.100 -0.003 0.000 0.959 254 R CB -0.975 29.341 30.300 0.026 0.000 0.856 254 R HN 0.251 nan 8.270 nan 0.000 0.437 255 T N 0.264 114.795 114.554 -0.038 0.000 2.701 255 T HA -0.073 3.984 4.350 -0.488 0.000 0.263 255 T C 1.787 176.444 174.700 -0.072 0.000 1.040 255 T CA 1.572 63.641 62.100 -0.051 0.000 1.147 255 T CB -0.201 68.646 68.868 -0.035 0.000 0.865 255 T HN 0.298 nan 8.240 nan 0.000 0.426 256 R N 0.465 120.927 120.500 -0.063 0.000 2.112 256 R HA -0.099 3.948 4.340 -0.488 0.000 0.242 256 R C 2.487 178.720 176.300 -0.112 0.000 1.137 256 R CA 1.458 57.515 56.100 -0.073 0.000 0.944 256 R CB -0.734 29.532 30.300 -0.056 0.000 0.857 256 R HN 0.360 nan 8.270 nan 0.000 0.435 257 L N -0.191 120.947 121.223 -0.141 0.000 2.012 257 L HA -0.216 3.831 4.340 -0.488 0.000 0.210 257 L C 2.658 179.350 176.870 -0.296 0.000 1.073 257 L CA 1.476 56.163 54.840 -0.255 0.000 0.748 257 L CB -0.627 41.245 42.059 -0.311 0.000 0.891 257 L HN 0.309 nan 8.230 nan 0.000 0.431 258 A N -0.879 121.805 122.820 -0.226 0.000 2.019 258 A HA -0.250 3.778 4.320 -0.488 0.000 0.219 258 A C 2.183 179.649 177.584 -0.196 0.000 1.164 258 A CA 1.703 53.606 52.037 -0.224 0.000 0.644 258 A CB -0.376 18.529 19.000 -0.158 0.000 0.805 258 A HN 0.434 nan 8.150 nan 0.000 0.449 259 Q N -1.064 118.643 119.800 -0.155 0.000 2.302 259 Q HA 0.256 4.303 4.340 -0.488 0.000 0.202 259 Q C 1.801 177.726 176.000 -0.125 0.000 0.936 259 Q CA 1.206 56.936 55.803 -0.120 0.000 0.886 259 Q CB -0.218 28.468 28.738 -0.086 0.000 0.986 259 Q HN 0.551 nan 8.270 nan 0.000 0.487 260 A N -0.700 122.032 122.820 -0.147 0.000 2.195 260 A HA 0.258 4.285 4.320 -0.488 0.000 0.210 260 A C 0.849 178.325 177.584 -0.180 0.000 1.165 260 A CA 0.595 52.556 52.037 -0.126 0.000 0.806 260 A CB 0.124 19.076 19.000 -0.080 0.000 0.847 260 A HN 0.390 nan 8.150 nan 0.000 0.482 261 S N -2.204 113.326 115.700 -0.284 0.000 2.911 261 S HA 0.570 4.748 4.470 -0.488 0.000 0.319 261 S C -0.466 173.900 174.600 -0.389 0.000 1.154 261 S CA -0.461 57.522 58.200 -0.361 0.000 0.857 261 S CB 0.926 63.793 63.200 -0.555 0.000 1.279 261 S HN -0.029 nan 8.310 nan 0.000 0.593 262 T N 1.870 116.118 114.554 -0.510 0.000 2.753 262 T HA 0.467 4.525 4.350 -0.488 0.000 0.297 262 T C -0.656 173.621 174.700 -0.706 0.000 0.981 262 T CA -0.325 61.421 62.100 -0.589 0.000 0.956 262 T CB 0.092 68.550 68.868 -0.683 0.000 0.936 262 T HN 0.526 nan 8.240 nan 0.000 0.463 263 L N 5.822 126.686 121.223 -0.598 0.000 2.257 263 L HA 0.384 4.432 4.340 -0.488 0.000 0.290 263 L C -0.291 176.279 176.870 -0.500 0.000 1.044 263 L CA -0.720 53.809 54.840 -0.517 0.000 0.810 263 L CB 0.225 42.071 42.059 -0.355 0.000 1.193 263 L HN 0.628 nan 8.230 nan 0.000 0.425 264 H N 3.665 122.581 119.070 -0.257 0.000 2.594 264 H HA 0.136 4.399 4.556 -0.488 0.000 0.304 264 H C -0.874 174.478 175.328 0.040 0.000 1.068 264 H CA -0.579 55.419 56.048 -0.084 0.000 1.308 264 H CB 1.445 31.137 29.762 -0.117 0.000 1.409 264 H HN 0.532 nan 8.280 nan 0.000 0.460 265 D N 4.358 124.844 120.400 0.144 0.000 2.402 265 D HA 0.014 4.361 4.640 -0.488 0.000 0.235 265 D C 0.944 177.316 176.300 0.120 0.000 1.226 265 D CA -0.168 53.904 54.000 0.119 0.000 0.918 265 D CB 0.472 41.309 40.800 0.062 0.000 1.043 265 D HN 0.422 nan 8.370 nan 0.000 0.506 266 V N 1.499 121.513 119.914 0.167 0.000 3.421 266 V HA 0.097 3.924 4.120 -0.488 0.000 0.316 266 V C 1.687 177.821 176.094 0.067 0.000 1.347 266 V CA -0.168 62.198 62.300 0.110 0.000 1.183 266 V CB -0.162 31.786 31.823 0.208 0.000 1.092 266 V HN 0.259 nan 8.190 nan 0.000 0.433 267 T N 1.615 116.206 114.554 0.061 0.000 2.849 267 T HA -0.087 3.970 4.350 -0.488 0.000 0.270 267 T C 2.032 176.734 174.700 0.004 0.000 1.066 267 T CA 2.087 64.209 62.100 0.036 0.000 1.130 267 T CB -0.146 68.744 68.868 0.036 0.000 0.864 267 T HN 0.795 nan 8.240 nan 0.000 0.481 268 A N 0.548 123.362 122.820 -0.009 0.000 2.014 268 A HA 0.251 4.278 4.320 -0.488 0.000 0.218 268 A C 1.006 178.565 177.584 -0.043 0.000 1.163 268 A CA 0.602 52.622 52.037 -0.028 0.000 0.652 268 A CB -0.319 18.661 19.000 -0.034 0.000 0.808 268 A HN 0.463 nan 8.150 nan 0.000 0.449 269 L N -0.987 120.211 121.223 -0.042 0.000 2.416 269 L HA 0.570 4.617 4.340 -0.488 0.000 0.262 269 L C 0.930 177.758 176.870 -0.071 0.000 1.093 269 L CA -0.568 54.239 54.840 -0.056 0.000 0.801 269 L CB 0.745 42.769 42.059 -0.057 0.000 1.191 269 L HN 0.209 nan 8.230 nan 0.000 0.459 270 G N -1.823 106.920 108.800 -0.094 0.000 2.477 270 G HA2 0.273 3.940 3.960 -0.488 0.000 0.304 270 G HA3 0.273 3.940 3.960 -0.488 0.000 0.304 270 G C 0.399 175.250 174.900 -0.081 0.000 1.175 270 G CA -0.282 44.723 45.100 -0.159 0.000 0.907 270 G HN 0.838 nan 8.290 nan 0.000 0.509 271 H N -0.186 118.856 119.070 -0.046 0.000 2.268 271 H HA -0.245 4.017 4.556 -0.489 0.000 0.288 271 H C 2.498 177.775 175.328 -0.086 0.000 1.088 271 H CA 1.799 57.804 56.048 -0.071 0.000 1.182 271 H CB -0.071 29.647 29.762 -0.074 0.000 1.348 271 H HN 0.318 nan 8.280 nan 0.000 0.499 272 L N 0.771 122.031 121.223 0.061 0.000 1.997 272 L HA -0.261 3.787 4.340 -0.488 0.000 0.216 272 L C 2.579 179.436 176.870 -0.023 0.000 1.074 272 L CA 1.985 56.822 54.840 -0.005 0.000 0.763 272 L CB -0.858 41.195 42.059 -0.010 0.000 0.890 272 L HN 0.357 nan 8.230 nan 0.000 0.434 273 A N -1.703 121.104 122.820 -0.022 0.000 1.883 273 A HA -0.256 3.771 4.320 -0.488 0.000 0.217 273 A C 2.255 179.839 177.584 0.001 0.000 1.186 273 A CA 2.589 54.614 52.037 -0.021 0.000 0.624 273 A CB -1.365 17.613 19.000 -0.037 0.000 0.822 273 A HN 0.571 nan 8.150 nan 0.000 0.444 274 T N 0.581 115.132 114.554 -0.004 0.000 2.635 274 T HA -0.119 3.938 4.350 -0.488 0.000 0.267 274 T C 2.224 176.885 174.700 -0.065 0.000 1.040 274 T CA 2.008 64.110 62.100 0.004 0.000 1.156 274 T CB -0.714 68.154 68.868 -0.001 0.000 0.863 274 T HN 0.670 nan 8.240 nan 0.000 0.430 275 A N 2.105 124.855 122.820 -0.115 0.000 1.859 275 A HA -0.240 3.788 4.320 -0.488 0.000 0.217 275 A C 2.258 179.764 177.584 -0.130 0.000 1.198 275 A CA 2.071 53.999 52.037 -0.182 0.000 0.629 275 A CB -0.666 18.234 19.000 -0.168 0.000 0.830 275 A HN 0.500 nan 8.150 nan 0.000 0.446 276 K N -1.792 118.569 120.400 -0.064 0.000 2.160 276 K HA -0.237 3.791 4.320 -0.488 0.000 0.206 276 K C 2.058 178.668 176.600 0.017 0.000 1.047 276 K CA 1.763 58.031 56.287 -0.031 0.000 0.930 276 K CB -0.308 32.180 32.500 -0.020 0.000 0.720 276 K HN 0.753 nan 8.250 nan 0.000 0.450 277 H N 0.817 119.852 119.070 -0.058 0.000 2.333 277 H HA 0.031 4.295 4.556 -0.487 0.000 0.302 277 H C 1.830 177.201 175.328 0.071 0.000 1.075 277 H CA 1.402 57.463 56.048 0.021 0.000 1.348 277 H CB -0.096 29.707 29.762 0.067 0.000 1.393 277 H HN 0.019 nan 8.280 nan 0.000 0.509 278 I N 0.149 120.606 120.570 -0.189 0.000 2.151 278 I HA -0.314 3.563 4.170 -0.488 0.000 0.243 278 I C 2.610 178.597 176.117 -0.217 0.000 1.080 278 I CA 1.803 62.823 61.300 -0.467 0.000 1.339 278 I CB -0.271 37.283 38.000 -0.744 0.000 1.039 278 I HN 0.184 nan 8.210 nan 0.000 0.409 279 R N 0.239 120.637 120.500 -0.171 0.000 2.120 279 R HA -0.234 3.814 4.340 -0.488 0.000 0.234 279 R C 2.385 178.627 176.300 -0.097 0.000 1.123 279 R CA 1.648 57.675 56.100 -0.121 0.000 0.975 279 R CB -0.903 29.338 30.300 -0.098 0.000 0.866 279 R HN 0.500 nan 8.270 nan 0.000 0.446 280 H N -0.888 118.049 119.070 -0.222 0.000 2.457 280 H HA -0.139 4.124 4.556 -0.487 0.000 0.297 280 H C 0.572 175.654 175.328 -0.411 0.000 1.092 280 H CA 1.651 57.509 56.048 -0.317 0.000 1.309 280 H CB 0.157 29.676 29.762 -0.405 0.000 1.382 280 H HN 0.464 nan 8.280 nan 0.000 0.535 281 H N -0.708 118.207 119.070 -0.258 0.000 2.539 281 H HA 0.093 4.356 4.556 -0.488 0.000 0.269 281 H C 1.116 176.302 175.328 -0.236 0.000 0.980 281 H CA 0.571 56.443 56.048 -0.293 0.000 1.152 281 H CB 0.325 29.908 29.762 -0.297 0.000 1.407 281 H HN 0.528 nan 8.280 nan 0.000 0.564 282 G N 2.288 111.016 108.800 -0.120 0.000 2.366 282 G HA2 -0.264 3.404 3.960 -0.488 0.000 0.299 282 G HA3 -0.264 3.404 3.960 -0.488 0.000 0.299 282 G C 0.207 175.058 174.900 -0.082 0.000 1.020 282 G CA -0.102 44.940 45.100 -0.097 0.000 1.026 282 G HN 0.278 nan 8.290 nan 0.000 0.512 283 I N 0.788 121.304 120.570 -0.089 0.000 2.598 283 I HA 0.050 3.927 4.170 -0.488 0.000 0.284 283 I C 1.176 177.248 176.117 -0.075 0.000 1.140 283 I CA 0.092 61.347 61.300 -0.074 0.000 1.420 283 I CB 0.645 38.609 38.000 -0.059 0.000 1.387 283 I HN 0.248 nan 8.210 nan 0.000 0.553 284 D N 6.364 126.719 120.400 -0.076 0.000 2.120 284 D HA 0.031 4.379 4.640 -0.488 0.000 0.202 284 D C 0.449 176.684 176.300 -0.108 0.000 0.972 284 D CA 1.274 55.211 54.000 -0.104 0.000 0.837 284 D CB 0.405 41.106 40.800 -0.165 0.000 0.989 284 D HN 0.363 nan 8.370 nan 0.000 0.469 285 L N 0.954 122.132 121.223 -0.074 0.000 2.406 285 L HA 0.440 4.487 4.340 -0.488 0.000 0.272 285 L C -1.115 175.763 176.870 0.014 0.000 0.980 285 L CA -0.848 53.948 54.840 -0.074 0.000 0.831 285 L CB 2.598 44.612 42.059 -0.076 0.000 1.253 285 L HN -0.150 nan 8.230 nan 0.000 0.406 286 L N 3.503 124.713 121.223 -0.021 0.000 2.342 286 L HA 0.565 4.613 4.340 -0.488 0.000 0.276 286 L C -1.176 175.801 176.870 0.179 0.000 0.997 286 L CA 0.114 55.013 54.840 0.099 0.000 0.838 286 L CB 1.031 43.103 42.059 0.022 0.000 1.224 286 L HN 0.260 nan 8.230 nan 0.000 0.416 287 F N 3.087 123.078 119.950 0.069 0.000 2.411 287 F HA 0.272 4.506 4.527 -0.488 0.000 0.350 287 F C 0.510 176.542 175.800 0.386 0.000 1.114 287 F CA -0.397 57.716 58.000 0.188 0.000 1.135 287 F CB 1.029 40.068 39.000 0.065 0.000 1.120 287 F HN 0.474 nan 8.300 nan 0.000 0.495 288 D N 5.383 125.949 120.400 0.276 0.000 2.393 288 D HA 0.163 4.510 4.640 -0.488 0.000 0.232 288 D C -0.140 176.272 176.300 0.187 0.000 1.192 288 D CA -0.077 53.892 54.000 -0.052 0.000 0.882 288 D CB 0.481 40.643 40.800 -1.063 0.000 1.038 288 D HN 0.453 nan 8.370 nan 0.000 0.499 289 L N 4.345 125.749 121.223 0.302 0.000 3.064 289 L HA 0.337 4.384 4.340 -0.488 0.000 0.233 289 L C 1.435 178.371 176.870 0.110 0.000 1.333 289 L CA -0.220 54.761 54.840 0.234 0.000 1.140 289 L CB -0.082 42.145 42.059 0.280 0.000 1.519 289 L HN 0.238 nan 8.230 nan 0.000 0.493 290 R N -0.078 120.467 120.500 0.074 0.000 2.084 290 R HA 0.208 4.255 4.340 -0.488 0.000 0.209 290 R C 1.894 178.248 176.300 0.091 0.000 1.173 290 R CA 0.891 57.018 56.100 0.044 0.000 1.053 290 R CB -0.047 30.265 30.300 0.019 0.000 0.948 290 R HN 0.381 nan 8.270 nan 0.000 0.460 291 G N -0.958 107.931 108.800 0.149 0.000 2.531 291 G HA2 -0.075 3.593 3.960 -0.488 0.000 0.210 291 G HA3 -0.075 3.593 3.960 -0.488 0.000 0.210 291 G C 0.377 175.166 174.900 -0.185 0.000 1.547 291 G CA -0.403 44.693 45.100 -0.006 0.000 0.740 291 G HN 0.243 nan 8.290 nan 0.000 0.611 292 W N 2.215 123.362 121.300 -0.256 0.000 3.290 292 W HA 0.469 4.833 4.660 -0.493 0.000 0.287 292 W C 1.383 177.902 176.519 0.001 0.000 1.288 292 W CA -0.303 56.908 57.345 -0.224 0.000 1.725 292 W CB 0.585 29.738 29.460 -0.511 0.000 1.103 292 W HN 0.326 nan 8.180 nan 0.000 0.670 293 G N 0.420 109.367 108.800 0.246 0.000 2.537 293 G HA2 0.400 4.068 3.960 -0.488 0.000 0.273 293 G HA3 0.400 4.068 3.960 -0.488 0.000 0.273 293 G C 0.447 175.293 174.900 -0.090 0.000 1.189 293 G CA -0.422 44.617 45.100 -0.101 0.000 0.881 293 G HN 0.074 nan 8.290 nan 0.000 0.535 294 G N -1.224 107.459 108.800 -0.194 0.000 2.765 294 G HA2 0.497 4.165 3.960 -0.488 0.000 0.230 294 G HA3 0.497 4.165 3.960 -0.488 0.000 0.230 294 G C 1.035 175.912 174.900 -0.038 0.000 1.238 294 G CA 0.871 45.928 45.100 -0.071 0.000 0.854 294 G HN 1.991 nan 8.290 nan 0.000 0.579 295 G N 0.288 109.089 108.800 0.002 0.000 2.547 295 G HA2 0.278 3.945 3.960 -0.488 0.000 0.226 295 G HA3 0.278 3.945 3.960 -0.488 0.000 0.226 295 G C 1.005 175.923 174.900 0.030 0.000 0.871 295 G CA 0.368 45.471 45.100 0.006 0.000 1.142 295 G HN 1.883 nan 8.290 nan 0.000 0.362 296 G N 1.015 109.858 108.800 0.071 0.000 2.347 296 G HA2 0.273 3.941 3.960 -0.488 0.000 0.824 296 G HA3 0.273 3.941 3.960 -0.488 0.000 0.824 296 G C 0.553 175.489 174.900 0.061 0.000 1.218 296 G CA 0.565 45.716 45.100 0.085 0.000 1.407 296 G HN 1.270 nan 8.290 nan 0.000 0.794 297 R N -0.375 120.154 120.500 0.049 0.000 2.994 297 R HA 0.202 4.249 4.340 -0.488 0.000 0.219 297 R C -1.929 174.326 176.300 -0.074 0.000 1.645 297 R CA -0.864 55.249 56.100 0.021 0.000 1.362 297 R CB 2.002 32.376 30.300 0.123 0.000 1.572 297 R HN 0.330 nan 8.270 nan 0.000 0.659 298 P HA -0.197 nan 4.420 nan 0.000 0.217 298 P C 0.697 177.695 177.300 -0.504 0.000 1.151 298 P CA 1.217 64.120 63.100 -0.329 0.000 0.828 298 P CB 0.364 31.757 31.700 -0.511 0.000 0.788 299 E N 0.267 120.156 120.200 -0.518 0.000 2.267 299 E HA -0.096 3.961 4.350 -0.488 0.000 0.197 299 E C 1.978 178.273 176.600 -0.509 0.000 0.998 299 E CA 0.873 56.916 56.400 -0.595 0.000 0.830 299 E CB -1.620 27.705 29.700 -0.625 0.000 0.751 299 E HN 0.129 nan 8.360 nan 0.000 0.491 300 V N 0.547 120.231 119.914 -0.384 0.000 2.307 300 V HA -0.207 3.620 4.120 -0.488 0.000 0.245 300 V C 2.072 177.906 176.094 -0.433 0.000 1.045 300 V CA 1.725 63.843 62.300 -0.305 0.000 1.024 300 V CB -0.671 31.030 31.823 -0.203 0.000 0.651 300 V HN 0.101 nan 8.190 nan 0.000 0.449 301 F N 0.361 120.019 119.950 -0.486 0.000 2.502 301 F HA 0.062 4.295 4.527 -0.490 0.000 0.298 301 F C 2.259 177.540 175.800 -0.864 0.000 1.111 301 F CA 0.930 58.621 58.000 -0.515 0.000 1.445 301 F CB -0.456 38.331 39.000 -0.354 0.000 1.081 301 F HN 0.089 nan 8.300 nan 0.000 0.558 302 A N -0.381 121.795 122.820 -1.074 0.000 2.067 302 A HA 0.004 4.032 4.320 -0.488 0.000 0.217 302 A C 1.917 179.257 177.584 -0.407 0.000 1.156 302 A CA 0.774 52.167 52.037 -1.074 0.000 0.683 302 A CB -0.779 17.502 19.000 -1.198 0.000 0.808 302 A HN 0.390 nan 8.150 nan 0.000 0.455 303 L N -0.399 120.614 121.223 -0.350 0.000 2.599 303 L HA 0.051 4.099 4.340 -0.488 0.000 0.230 303 L C 0.160 176.932 176.870 -0.164 0.000 1.141 303 L CA -0.274 54.440 54.840 -0.210 0.000 0.877 303 L CB -0.303 41.639 42.059 -0.196 0.000 1.009 303 L HN 0.363 nan 8.230 nan 0.000 0.447 304 R N -0.521 119.881 120.500 -0.163 0.000 2.955 304 R HA -0.176 3.872 4.340 -0.488 0.000 0.239 304 R C -1.786 174.435 176.300 -0.133 0.000 0.848 304 R CA 0.111 56.154 56.100 -0.096 0.000 0.586 304 R CB -1.305 28.990 30.300 -0.008 0.000 1.098 304 R HN 0.297 nan 8.270 nan 0.000 0.499 305 P HA -0.066 nan 4.420 nan 0.000 0.230 305 P C 0.142 177.334 177.300 -0.179 0.000 1.158 305 P CA 1.412 64.385 63.100 -0.211 0.000 0.769 305 P CB 0.461 31.974 31.700 -0.311 0.000 0.807 306 A N 0.489 123.213 122.820 -0.161 0.000 2.413 306 A HA 0.595 4.622 4.320 -0.488 0.000 0.307 306 A C -2.092 175.445 177.584 -0.077 0.000 1.087 306 A CA -1.615 50.350 52.037 -0.121 0.000 0.750 306 A CB 1.207 20.131 19.000 -0.126 0.000 1.296 306 A HN -0.181 nan 8.150 nan 0.000 0.423 307 P HA 0.093 nan 4.420 nan 0.000 0.230 307 P C -0.072 177.165 177.300 -0.105 0.000 1.168 307 P CA 0.666 63.729 63.100 -0.062 0.000 0.793 307 P CB 0.364 32.032 31.700 -0.053 0.000 0.851 308 V N 1.294 121.129 119.914 -0.131 0.000 2.483 308 V HA 0.289 4.117 4.120 -0.488 0.000 0.297 308 V C -0.442 175.609 176.094 -0.071 0.000 1.027 308 V CA -0.448 61.765 62.300 -0.145 0.000 0.855 308 V CB 2.081 33.735 31.823 -0.281 0.000 0.995 308 V HN -0.028 nan 8.190 nan 0.000 0.424 309 Q N 3.840 123.644 119.800 0.006 0.000 2.310 309 Q HA 0.673 4.720 4.340 -0.488 0.000 0.270 309 Q C -1.445 174.547 176.000 -0.015 0.000 1.025 309 Q CA -0.617 55.220 55.803 0.058 0.000 0.772 309 Q CB 2.981 31.858 28.738 0.232 0.000 1.253 309 Q HN 0.548 nan 8.270 nan 0.000 0.450 310 V N 2.452 122.248 119.914 -0.196 0.000 2.448 310 V HA 0.298 4.125 4.120 -0.488 0.000 0.295 310 V C -0.296 175.754 176.094 -0.074 0.000 1.025 310 V CA -1.001 61.142 62.300 -0.262 0.000 0.859 310 V CB 1.798 33.081 31.823 -0.900 0.000 0.988 310 V HN 0.671 nan 8.190 nan 0.000 0.431 311 N N 3.974 122.709 118.700 0.058 0.000 2.414 311 N HA 0.304 4.751 4.740 -0.488 0.000 0.256 311 N C -1.323 174.413 175.510 0.377 0.000 1.029 311 N CA -0.293 52.844 53.050 0.146 0.000 0.948 311 N CB 0.857 39.393 38.487 0.081 0.000 1.102 311 N HN 0.739 nan 8.380 nan 0.000 0.496 312 W N 5.034 126.493 121.300 0.264 0.000 3.256 312 W HA 0.451 4.819 4.660 -0.487 0.000 0.324 312 W C -0.946 175.815 176.519 0.404 0.000 1.196 312 W CA -1.215 56.359 57.345 0.381 0.000 1.206 312 W CB 0.469 30.307 29.460 0.631 0.000 1.385 312 W HN 0.483 nan 8.180 nan 0.000 0.522 313 L N 4.263 125.414 121.223 -0.119 0.000 3.826 313 L HA -0.013 4.034 4.340 -0.488 0.000 0.566 313 L C 0.076 176.924 176.870 -0.037 0.000 1.217 313 L CA 2.569 57.240 54.840 -0.282 0.000 0.823 313 L CB -1.252 39.944 42.059 -1.438 0.000 1.381 313 L HN 1.352 nan 8.230 nan 0.000 0.825 314 A N 1.722 124.655 122.820 0.187 0.000 3.512 314 A HA 0.116 4.144 4.320 -0.488 0.000 0.183 314 A C -0.413 177.412 177.584 0.401 0.000 1.313 314 A CA 0.335 52.518 52.037 0.244 0.000 1.279 314 A CB -0.460 18.654 19.000 0.189 0.000 0.987 314 A HN 1.022 nan 8.150 nan 0.000 0.455 315 Y N 3.648 124.084 120.300 0.227 0.000 2.369 315 Y HA 0.608 4.867 4.550 -0.486 0.000 0.337 315 Y C -2.461 173.515 175.900 0.127 0.000 0.961 315 Y CA -2.453 55.803 58.100 0.260 0.000 1.186 315 Y CB 1.836 40.437 38.460 0.235 0.000 1.139 315 Y HN 0.183 nan 8.280 nan 0.000 0.494 316 P HA 0.297 nan 4.420 nan 0.000 0.220 316 P C -0.127 176.864 177.300 -0.515 0.000 1.778 316 P CA 0.531 63.489 63.100 -0.238 0.000 0.912 316 P CB 0.028 31.888 31.700 0.266 0.000 1.861 317 G N -1.275 107.127 108.800 -0.664 0.000 2.489 317 G HA2 0.311 3.978 3.960 -0.488 0.000 0.305 317 G HA3 0.311 3.978 3.960 -0.488 0.000 0.305 317 G C -1.426 173.461 174.900 -0.022 0.000 1.311 317 G CA -0.388 44.489 45.100 -0.371 0.000 0.813 317 G HN 0.046 nan 8.290 nan 0.000 0.480 318 T N -0.701 113.683 114.554 -0.283 0.000 2.913 318 T HA 0.406 4.463 4.350 -0.488 0.000 0.297 318 T C 1.837 176.644 174.700 0.179 0.000 1.029 318 T CA 0.825 62.771 62.100 -0.256 0.000 1.104 318 T CB 0.822 69.286 68.868 -0.674 0.000 0.964 318 T HN 1.352 nan 8.240 nan 0.000 0.532 319 S N 2.461 118.224 115.700 0.105 0.000 2.527 319 S HA 0.200 4.378 4.470 -0.488 0.000 0.222 319 S C 1.951 176.620 174.600 0.116 0.000 0.985 319 S CA 0.661 58.920 58.200 0.098 0.000 0.921 319 S CB -0.570 62.536 63.200 -0.157 0.000 0.772 319 S HN 1.568 nan 8.310 nan 0.000 0.529 320 G N 1.144 109.930 108.800 -0.023 0.000 2.200 320 G HA2 -0.204 3.463 3.960 -0.488 0.000 0.268 320 G HA3 -0.204 3.463 3.960 -0.488 0.000 0.268 320 G C 0.221 174.985 174.900 -0.227 0.000 0.986 320 G CA 0.354 45.400 45.100 -0.091 0.000 0.677 320 G HN 1.380 nan 8.290 nan 0.000 0.532 321 A N 0.275 122.849 122.820 -0.410 0.000 2.290 321 A HA 0.789 4.817 4.320 -0.488 0.000 0.310 321 A C -0.344 176.799 177.584 -0.735 0.000 1.202 321 A CA -0.962 50.537 52.037 -0.897 0.000 0.837 321 A CB 1.307 19.277 19.000 -1.717 0.000 1.139 321 A HN 0.079 nan 8.150 nan 0.000 0.509 322 P HA -0.071 nan 4.420 nan 0.000 0.233 322 P C 0.569 177.782 177.300 -0.144 0.000 1.167 322 P CA 0.858 63.798 63.100 -0.267 0.000 0.770 322 P CB -0.046 31.586 31.700 -0.113 0.000 0.837 323 W N -2.083 119.195 121.300 -0.038 0.000 3.278 323 W HA 0.531 4.899 4.660 -0.487 0.000 0.308 323 W C 0.202 176.703 176.519 -0.031 0.000 1.253 323 W CA -0.649 56.679 57.345 -0.028 0.000 1.759 323 W CB -0.922 28.531 29.460 -0.013 0.000 1.093 323 W HN -0.279 nan 8.180 nan 0.000 0.648 324 M N 2.843 122.334 119.600 -0.181 0.000 2.101 324 M HA 0.236 4.424 4.480 -0.488 0.000 0.340 324 M C 0.573 176.787 176.300 -0.144 0.000 1.057 324 M CA -0.272 54.964 55.300 -0.106 0.000 0.984 324 M CB 1.019 33.469 32.600 -0.250 0.000 1.560 324 M HN -0.040 nan 8.290 nan 0.000 0.435 325 D N 3.455 123.795 120.400 -0.101 0.000 2.149 325 D HA -0.004 4.344 4.640 -0.488 0.000 0.206 325 D C -0.464 175.547 176.300 -0.481 0.000 0.967 325 D CA 1.436 55.266 54.000 -0.284 0.000 0.848 325 D CB 0.188 40.867 40.800 -0.202 0.000 0.998 325 D HN 0.473 nan 8.370 nan 0.000 0.474 326 Y N -0.484 119.800 120.300 -0.027 0.000 2.512 326 Y HA 0.432 4.689 4.550 -0.488 0.000 0.348 326 Y C -0.277 175.614 175.900 -0.015 0.000 0.990 326 Y CA -1.043 57.054 58.100 -0.005 0.000 1.033 326 Y CB 2.423 40.865 38.460 -0.031 0.000 1.259 326 Y HN -0.348 nan 8.280 nan 0.000 0.461 327 V N 4.460 124.477 119.914 0.172 0.000 2.581 327 V HA 0.641 4.469 4.120 -0.488 0.000 0.303 327 V C -1.493 174.674 176.094 0.122 0.000 1.041 327 V CA -0.816 61.563 62.300 0.131 0.000 0.907 327 V CB 1.681 33.559 31.823 0.092 0.000 0.994 327 V HN 0.634 nan 8.190 nan 0.000 0.442 328 L N 6.997 128.335 121.223 0.192 0.000 2.305 328 L HA 0.976 5.024 4.340 -0.488 0.000 0.284 328 L C 0.125 177.177 176.870 0.303 0.000 1.013 328 L CA 0.958 55.911 54.840 0.188 0.000 0.819 328 L CB 0.983 43.103 42.059 0.101 0.000 1.227 328 L HN 0.807 nan 8.230 nan 0.000 0.417 329 G N 3.103 112.040 108.800 0.228 0.000 3.183 329 G HA2 0.653 4.320 3.960 -0.488 0.000 0.247 329 G HA3 0.653 4.320 3.960 -0.488 0.000 0.247 329 G C -1.694 173.398 174.900 0.320 0.000 1.211 329 G CA -0.024 45.270 45.100 0.323 0.000 0.835 329 G HN 0.697 nan 8.290 nan 0.000 0.604 330 D N -2.484 118.095 120.400 0.298 0.000 2.579 330 D HA 0.560 4.908 4.640 -0.488 0.000 0.257 330 D C 1.020 177.457 176.300 0.229 0.000 1.176 330 D CA 0.091 54.248 54.000 0.262 0.000 0.914 330 D CB 1.242 42.229 40.800 0.312 0.000 1.431 330 D HN 0.677 nan 8.370 nan 0.000 0.454 331 A N 0.134 123.094 122.820 0.232 0.000 1.997 331 A HA -0.160 3.867 4.320 -0.488 0.000 0.221 331 A C 1.700 179.373 177.584 0.147 0.000 1.172 331 A CA 1.672 53.813 52.037 0.174 0.000 0.645 331 A CB -0.989 18.119 19.000 0.180 0.000 0.813 331 A HN 0.573 nan 8.150 nan 0.000 0.454 332 F N -0.426 119.585 119.950 0.102 0.000 2.220 332 F HA 0.300 4.534 4.527 -0.488 0.000 0.290 332 F C 2.397 178.175 175.800 -0.035 0.000 1.080 332 F CA 1.104 59.096 58.000 -0.013 0.000 1.318 332 F CB -0.083 38.896 39.000 -0.035 0.000 1.063 332 F HN 0.191 nan 8.300 nan 0.000 0.498 333 A N -0.215 122.753 122.820 0.247 0.000 2.072 333 A HA 0.189 4.216 4.320 -0.488 0.000 0.216 333 A C 0.696 178.194 177.584 -0.144 0.000 1.156 333 A CA 0.456 52.438 52.037 -0.091 0.000 0.701 333 A CB -0.317 18.399 19.000 -0.473 0.000 0.816 333 A HN 0.342 nan 8.150 nan 0.000 0.458 334 L N 1.383 122.625 121.223 0.032 0.000 2.462 334 L HA 0.347 4.395 4.340 -0.488 0.000 0.255 334 L C -2.942 173.941 176.870 0.022 0.000 1.076 334 L CA -2.228 52.661 54.840 0.083 0.000 0.920 334 L CB 2.543 44.664 42.059 0.104 0.000 1.214 334 L HN 0.029 nan 8.230 nan 0.000 0.472 335 P HA 0.400 nan 4.420 nan 0.000 0.285 335 P C -2.326 174.976 177.300 0.004 0.000 1.269 335 P CA -1.757 61.323 63.100 -0.033 0.000 0.844 335 P CB 0.742 32.376 31.700 -0.111 0.000 1.094 336 P HA -0.298 nan 4.420 nan 0.000 0.222 336 P C 1.364 178.690 177.300 0.042 0.000 1.155 336 P CA 2.616 65.729 63.100 0.022 0.000 0.890 336 P CB -0.715 30.993 31.700 0.013 0.000 0.790 337 A N -1.988 120.854 122.820 0.038 0.000 2.194 337 A HA -0.155 3.872 4.320 -0.488 0.000 0.220 337 A C 2.007 179.690 177.584 0.166 0.000 1.162 337 A CA 1.461 53.542 52.037 0.074 0.000 0.674 337 A CB -1.212 17.815 19.000 0.044 0.000 0.789 337 A HN 0.277 nan 8.150 nan 0.000 0.470 338 L N -2.102 119.227 121.223 0.177 0.000 2.817 338 L HA 0.292 4.340 4.340 -0.488 0.000 0.248 338 L C 1.608 178.702 176.870 0.374 0.000 1.133 338 L CA 0.485 55.523 54.840 0.330 0.000 0.935 338 L CB 0.049 42.253 42.059 0.243 0.000 1.266 338 L HN 0.337 nan 8.230 nan 0.000 0.535 339 E N 0.495 120.809 120.200 0.190 0.000 2.118 339 E HA -0.190 3.867 4.350 -0.488 0.000 0.195 339 E C -0.849 175.817 176.600 0.109 0.000 0.992 339 E CA 1.479 57.962 56.400 0.137 0.000 0.804 339 E CB -0.663 29.072 29.700 0.058 0.000 0.741 339 E HN 0.479 nan 8.360 nan 0.000 0.458 340 P HA -0.131 nan 4.420 nan 0.000 0.222 340 P C 0.310 177.396 177.300 -0.358 0.000 1.147 340 P CA 1.023 63.957 63.100 -0.278 0.000 0.790 340 P CB 0.011 31.393 31.700 -0.529 0.000 0.780 341 F N -3.004 117.011 119.950 0.107 0.000 2.664 341 F HA 0.187 4.421 4.527 -0.488 0.000 0.301 341 F C 0.460 176.240 175.800 -0.034 0.000 1.126 341 F CA -0.120 57.905 58.000 0.042 0.000 1.373 341 F CB -0.693 38.328 39.000 0.035 0.000 1.042 341 F HN -0.106 nan 8.300 nan 0.000 0.535 342 Y N -0.730 119.609 120.300 0.066 0.000 2.376 342 Y HA 0.215 4.473 4.550 -0.487 0.000 0.340 342 Y C 1.440 177.303 175.900 -0.061 0.000 0.965 342 Y CA -0.792 57.318 58.100 0.017 0.000 1.078 342 Y CB 1.707 40.179 38.460 0.020 0.000 1.193 342 Y HN -0.055 nan 8.280 nan 0.000 0.452 343 S N 0.072 115.768 115.700 -0.006 0.000 2.436 343 S HA -0.010 4.167 4.470 -0.488 0.000 0.228 343 S C 0.228 174.727 174.600 -0.168 0.000 1.014 343 S CA 0.222 58.358 58.200 -0.105 0.000 0.950 343 S CB -0.164 62.948 63.200 -0.147 0.000 0.784 343 S HN 0.631 nan 8.310 nan 0.000 0.504 344 E N 1.739 121.890 120.200 -0.082 0.000 2.392 344 E HA 0.256 4.313 4.350 -0.488 0.000 0.259 344 E C -0.022 176.478 176.600 -0.167 0.000 1.108 344 E CA -0.279 56.025 56.400 -0.160 0.000 0.916 344 E CB 0.250 29.946 29.700 -0.007 0.000 0.989 344 E HN 0.360 nan 8.360 nan 0.000 0.432 345 H N 0.306 119.305 119.070 -0.119 0.000 2.790 345 H HA 0.101 4.365 4.556 -0.487 0.000 0.358 345 H C -0.355 175.019 175.328 0.076 0.000 1.103 345 H CA -0.098 55.932 56.048 -0.029 0.000 1.426 345 H CB 0.422 30.150 29.762 -0.056 0.000 1.424 345 H HN 0.125 nan 8.280 nan 0.000 0.599 346 V N 5.438 125.463 119.914 0.185 0.000 2.432 346 V HA 0.174 4.001 4.120 -0.488 0.000 0.275 346 V C 0.632 176.795 176.094 0.116 0.000 1.043 346 V CA -0.373 61.982 62.300 0.091 0.000 0.925 346 V CB 0.856 32.671 31.823 -0.014 0.000 0.985 346 V HN 0.417 nan 8.190 nan 0.000 0.466 347 L N 5.626 126.906 121.223 0.095 0.000 2.332 347 L HA 0.747 4.795 4.340 -0.488 0.000 0.269 347 L C -0.017 176.874 176.870 0.034 0.000 1.016 347 L CA -0.901 53.963 54.840 0.040 0.000 0.809 347 L CB 1.665 43.711 42.059 -0.022 0.000 1.280 347 L HN 0.499 nan 8.230 nan 0.000 0.447 348 R N 1.250 121.760 120.500 0.016 0.000 2.533 348 R HA 0.517 4.565 4.340 -0.488 0.000 0.288 348 R C -1.354 174.944 176.300 -0.003 0.000 1.039 348 R CA -0.782 55.342 56.100 0.040 0.000 0.909 348 R CB 2.058 32.394 30.300 0.061 0.000 1.195 348 R HN 0.425 nan 8.270 nan 0.000 0.438 349 L N 2.260 123.476 121.223 -0.012 0.000 2.464 349 L HA 0.078 4.125 4.340 -0.488 0.000 0.264 349 L C 1.885 178.709 176.870 -0.075 0.000 1.199 349 L CA 0.112 54.888 54.840 -0.107 0.000 0.818 349 L CB 0.543 42.462 42.059 -0.232 0.000 1.102 349 L HN 0.619 nan 8.230 nan 0.000 0.473 350 Q N 0.712 120.449 119.800 -0.105 0.000 2.135 350 Q HA -0.108 3.940 4.340 -0.488 0.000 0.204 350 Q C 0.995 176.985 176.000 -0.015 0.000 0.981 350 Q CA 1.502 57.282 55.803 -0.038 0.000 0.856 350 Q CB 0.079 28.796 28.738 -0.035 0.000 0.902 350 Q HN 0.918 nan 8.270 nan 0.000 0.425 351 G N -0.521 108.194 108.800 -0.143 0.000 3.194 351 G HA2 0.578 4.245 3.960 -0.488 0.000 0.160 351 G HA3 0.578 4.245 3.960 -0.488 0.000 0.160 351 G C -0.995 173.469 174.900 -0.727 0.000 1.267 351 G CA -0.045 44.893 45.100 -0.271 0.000 0.962 351 G HN 0.315 nan 8.290 nan 0.000 0.612 352 A N -0.654 121.629 122.820 -0.895 0.000 2.425 352 A HA 0.455 4.483 4.320 -0.488 0.000 0.242 352 A C 0.884 178.456 177.584 -0.019 0.000 1.077 352 A CA 0.143 51.852 52.037 -0.546 0.000 0.781 352 A CB -0.042 18.748 19.000 -0.350 0.000 1.020 352 A HN 1.138 nan 8.150 nan 0.000 0.494 353 F N 0.370 120.383 119.950 0.104 0.000 2.293 353 F HA 0.033 4.267 4.527 -0.488 0.000 0.300 353 F C 0.984 177.134 175.800 0.583 0.000 1.086 353 F CA 0.962 59.188 58.000 0.376 0.000 1.375 353 F CB -0.107 39.180 39.000 0.479 0.000 1.045 353 F HN 0.604 nan 8.300 nan 0.000 0.516 354 Q N 3.673 123.136 119.800 -0.561 0.000 2.278 354 Q HA 0.355 4.403 4.340 -0.488 0.000 0.257 354 Q C -2.592 173.233 176.000 -0.291 0.000 0.928 354 Q CA -2.595 52.844 55.803 -0.606 0.000 0.932 354 Q CB 1.586 29.709 28.738 -1.025 0.000 1.221 354 Q HN 0.066 nan 8.270 nan 0.000 0.434 355 P HA 0.315 nan 4.420 nan 0.000 0.297 355 P C -1.206 175.801 177.300 -0.488 0.000 1.307 355 P CA -0.352 62.279 63.100 -0.782 0.000 0.773 355 P CB 1.422 32.471 31.700 -1.085 0.000 1.265 356 S N -2.482 112.949 115.700 -0.448 0.000 2.636 356 S HA 0.253 4.430 4.470 -0.488 0.000 0.268 356 S C -1.317 173.067 174.600 -0.361 0.000 1.159 356 S CA -0.769 57.236 58.200 -0.325 0.000 0.815 356 S CB 0.629 63.709 63.200 -0.201 0.000 1.130 356 S HN 0.348 nan 8.310 nan 0.000 0.471 357 D N 1.680 121.853 120.400 -0.378 0.000 2.435 357 D HA 0.259 4.607 4.640 -0.488 0.000 0.230 357 D C 1.277 177.223 176.300 -0.590 0.000 1.215 357 D CA 0.185 53.957 54.000 -0.380 0.000 0.947 357 D CB 0.650 41.282 40.800 -0.282 0.000 1.048 357 D HN 0.681 nan 8.370 nan 0.000 0.512 358 T N -0.794 113.446 114.554 -0.524 0.000 3.219 358 T HA -0.021 4.037 4.350 -0.488 0.000 0.249 358 T C 1.455 176.024 174.700 -0.217 0.000 1.099 358 T CA 0.210 61.896 62.100 -0.689 0.000 0.988 358 T CB -0.112 68.560 68.868 -0.328 0.000 0.999 358 T HN 0.182 nan 8.240 nan 0.000 0.550 359 S N 0.366 115.983 115.700 -0.138 0.000 2.503 359 S HA 0.215 4.392 4.470 -0.488 0.000 0.215 359 S C 0.902 175.562 174.600 0.099 0.000 1.003 359 S CA -0.757 57.453 58.200 0.017 0.000 0.910 359 S CB -0.349 62.842 63.200 -0.016 0.000 0.790 359 S HN 0.448 nan 8.310 nan 0.000 0.514 360 R N 1.900 122.444 120.500 0.074 0.000 2.488 360 R HA 0.198 4.246 4.340 -0.488 0.000 0.317 360 R C -0.896 175.603 176.300 0.330 0.000 0.941 360 R CA -0.073 56.143 56.100 0.193 0.000 1.076 360 R CB 0.124 30.538 30.300 0.189 0.000 0.917 360 R HN 0.158 nan 8.270 nan 0.000 0.407 361 V N 5.587 125.612 119.914 0.185 0.000 2.427 361 V HA 0.032 3.859 4.120 -0.488 0.000 0.268 361 V C 0.530 176.690 176.094 0.110 0.000 1.046 361 V CA -0.363 62.009 62.300 0.121 0.000 0.970 361 V CB 1.208 33.071 31.823 0.066 0.000 1.001 361 V HN 0.449 nan 8.190 nan 0.000 0.476 362 V N 5.478 125.433 119.914 0.068 0.000 2.572 362 V HA 0.447 4.274 4.120 -0.488 0.000 0.291 362 V C 0.870 176.965 176.094 0.001 0.000 1.039 362 V CA -0.014 62.306 62.300 0.034 0.000 1.055 362 V CB 0.747 32.546 31.823 -0.041 0.000 0.969 362 V HN 1.003 nan 8.190 nan 0.000 0.482 363 A N 4.666 127.489 122.820 0.004 0.000 2.249 363 A HA 0.527 4.555 4.320 -0.488 0.000 0.281 363 A C 0.262 177.832 177.584 -0.023 0.000 1.127 363 A CA -0.533 51.502 52.037 -0.003 0.000 0.833 363 A CB 0.246 19.250 19.000 0.008 0.000 1.140 363 A HN 0.746 nan 8.150 nan 0.000 0.502 364 E N 1.431 121.622 120.200 -0.016 0.000 2.194 364 E HA 0.355 4.412 4.350 -0.488 0.000 0.284 364 E C -2.164 174.430 176.600 -0.010 0.000 1.035 364 E CA -1.585 54.802 56.400 -0.022 0.000 0.836 364 E CB 0.728 30.424 29.700 -0.006 0.000 1.070 364 E HN 0.413 nan 8.360 nan 0.000 0.401 365 P HA 0.320 nan 4.420 nan 0.000 0.276 365 P C -2.521 174.856 177.300 0.127 0.000 1.244 365 P CA -1.432 61.681 63.100 0.022 0.000 0.801 365 P CB -0.140 31.503 31.700 -0.095 0.000 1.006 366 P HA 0.039 nan 4.420 nan 0.000 0.271 366 P C 0.126 177.566 177.300 0.235 0.000 1.233 366 P CA -0.169 63.021 63.100 0.151 0.000 0.789 366 P CB 0.029 31.793 31.700 0.108 0.000 0.951 367 S N 0.924 116.685 115.700 0.100 0.000 2.558 367 S HA -0.031 4.146 4.470 -0.488 0.000 0.287 367 S C 1.298 175.775 174.600 -0.205 0.000 1.321 367 S CA -0.067 58.123 58.200 -0.017 0.000 1.048 367 S CB 0.176 63.352 63.200 -0.040 0.000 0.844 367 S HN 0.323 nan 8.310 nan 0.000 0.512 368 R N 1.410 121.600 120.500 -0.517 0.000 2.140 368 R HA -0.139 3.909 4.340 -0.488 0.000 0.250 368 R C 2.418 178.522 176.300 -0.326 0.000 1.150 368 R CA 2.348 58.090 56.100 -0.598 0.000 0.966 368 R CB -1.327 28.654 30.300 -0.532 0.000 0.869 368 R HN 0.848 nan 8.270 nan 0.000 0.445 369 T N 0.448 114.877 114.554 -0.209 0.000 2.777 369 T HA -0.164 3.894 4.350 -0.488 0.000 0.266 369 T C 1.706 176.349 174.700 -0.095 0.000 1.040 369 T CA 1.117 63.135 62.100 -0.137 0.000 1.141 369 T CB -0.115 68.696 68.868 -0.095 0.000 0.868 369 T HN 0.335 nan 8.240 nan 0.000 0.444 370 Q N -0.414 119.346 119.800 -0.067 0.000 2.364 370 Q HA -0.015 4.033 4.340 -0.488 0.000 0.207 370 Q C 1.544 177.544 176.000 -0.000 0.000 0.970 370 Q CA 0.665 56.456 55.803 -0.020 0.000 0.888 370 Q CB -0.167 28.575 28.738 0.007 0.000 0.951 370 Q HN 0.489 nan 8.270 nan 0.000 0.469 371 C N -0.510 118.768 119.300 -0.037 0.000 2.693 371 C HA 0.330 4.497 4.460 -0.488 0.000 0.286 371 C C 1.461 176.389 174.990 -0.103 0.000 1.277 371 C CA 0.186 59.202 59.018 -0.004 0.000 1.705 371 C CB -0.747 27.009 27.740 0.027 0.000 1.879 371 C HN 0.742 nan 8.230 nan 0.000 0.607 372 G N 1.047 109.780 108.800 -0.111 0.000 2.162 372 G HA2 -0.247 3.421 3.960 -0.488 0.000 0.260 372 G HA3 -0.247 3.421 3.960 -0.488 0.000 0.260 372 G C 0.034 174.803 174.900 -0.218 0.000 0.976 372 G CA 0.166 45.197 45.100 -0.115 0.000 0.655 372 G HN 0.541 nan 8.290 nan 0.000 0.533 373 L N 1.573 122.596 121.223 -0.333 0.000 2.399 373 L HA 0.540 4.588 4.340 -0.488 0.000 0.265 373 L C -1.217 175.501 176.870 -0.253 0.000 1.089 373 L CA -2.237 52.374 54.840 -0.382 0.000 0.802 373 L CB 0.965 42.692 42.059 -0.554 0.000 1.180 373 L HN -0.024 nan 8.230 nan 0.000 0.454 374 P HA 0.170 nan 4.420 nan 0.000 0.279 374 P C -0.346 176.856 177.300 -0.163 0.000 1.276 374 P CA -0.422 62.587 63.100 -0.152 0.000 0.801 374 P CB 1.201 32.832 31.700 -0.115 0.000 1.127 375 E N -0.738 119.386 120.200 -0.127 0.000 2.086 375 E HA -0.022 4.036 4.350 -0.488 0.000 0.190 375 E C 0.599 177.139 176.600 -0.100 0.000 0.975 375 E CA 1.073 57.401 56.400 -0.121 0.000 0.813 375 E CB -0.006 29.639 29.700 -0.093 0.000 0.768 375 E HN 0.442 nan 8.360 nan 0.000 0.457 376 Q N -0.177 119.574 119.800 -0.082 0.000 2.212 376 Q HA 0.530 4.578 4.340 -0.488 0.000 0.238 376 Q C 0.385 176.342 176.000 -0.071 0.000 0.955 376 Q CA -0.097 55.666 55.803 -0.067 0.000 0.906 376 Q CB 1.370 30.076 28.738 -0.053 0.000 1.215 376 Q HN 0.249 nan 8.270 nan 0.000 0.478 377 G N -0.997 107.768 108.800 -0.059 0.000 2.663 377 G HA2 -0.106 3.562 3.960 -0.488 0.000 0.686 377 G HA3 -0.106 3.562 3.960 -0.488 0.000 0.686 377 G C -0.971 173.897 174.900 -0.053 0.000 1.246 377 G CA -0.659 44.408 45.100 -0.054 0.000 0.795 377 G HN 0.390 nan 8.290 nan 0.000 0.627 378 V N 0.457 120.347 119.914 -0.040 0.000 2.583 378 V HA 0.534 4.361 4.120 -0.488 0.000 0.287 378 V C 1.083 177.162 176.094 -0.025 0.000 1.051 378 V CA 0.188 62.474 62.300 -0.024 0.000 1.010 378 V CB 1.411 33.225 31.823 -0.016 0.000 0.988 378 V HN 1.801 nan 8.190 nan 0.000 0.478 379 V N 7.315 127.229 119.914 0.000 0.000 2.313 379 V HA 0.584 4.412 4.120 -0.488 0.000 0.278 379 V C -0.568 175.562 176.094 0.061 0.000 1.017 379 V CA -0.428 61.881 62.300 0.015 0.000 0.823 379 V CB 0.908 32.732 31.823 0.001 0.000 1.010 379 V HN 0.686 nan 8.190 nan 0.000 0.443 380 L N 7.484 128.721 121.223 0.024 0.000 2.289 380 L HA 0.830 4.877 4.340 -0.488 0.000 0.285 380 L C 0.293 177.136 176.870 -0.045 0.000 1.049 380 L CA -0.334 54.503 54.840 -0.005 0.000 0.804 380 L CB 1.093 43.135 42.059 -0.027 0.000 1.195 380 L HN 0.814 nan 8.230 nan 0.000 0.428 381 C N 0.453 119.655 119.300 -0.164 0.000 2.779 381 C HA 0.830 4.997 4.460 -0.488 0.000 0.314 381 C C -0.189 174.324 174.990 -0.796 0.000 1.231 381 C CA -1.156 57.629 59.018 -0.388 0.000 1.652 381 C CB 1.407 28.803 27.740 -0.574 0.000 2.198 381 C HN 1.062 nan 8.230 nan 0.000 0.483 382 C N 4.080 122.926 119.300 -0.757 0.000 3.164 382 C HA 0.612 4.779 4.460 -0.488 0.000 0.250 382 C C -1.028 173.794 174.990 -0.280 0.000 1.151 382 C CA -0.478 58.074 59.018 -0.777 0.000 1.449 382 C CB -1.641 25.882 27.740 -0.361 0.000 1.825 382 C HN 0.753 nan 8.230 nan 0.000 0.478 383 F N 4.595 124.499 119.950 -0.077 0.000 2.413 383 F HA 0.527 4.761 4.527 -0.488 0.000 0.359 383 F C 0.649 176.564 175.800 0.193 0.000 1.122 383 F CA 0.113 58.170 58.000 0.094 0.000 1.160 383 F CB 0.117 39.244 39.000 0.212 0.000 1.146 383 F HN 0.538 nan 8.300 nan 0.000 0.514 384 N N 1.173 120.005 118.700 0.221 0.000 3.020 384 N HA 0.221 4.669 4.740 -0.488 0.000 0.248 384 N C -1.164 174.289 175.510 -0.095 0.000 1.480 384 N CA -0.872 52.221 53.050 0.070 0.000 0.874 384 N CB 1.562 40.069 38.487 0.033 0.000 1.433 384 N HN 0.319 nan 8.380 nan 0.000 0.530 385 N N 0.062 118.585 118.700 -0.295 0.000 2.513 385 N HA 0.022 4.469 4.740 -0.488 0.000 0.268 385 N C 1.057 176.248 175.510 -0.533 0.000 1.180 385 N CA 0.237 52.988 53.050 -0.499 0.000 0.948 385 N CB 0.883 38.827 38.487 -0.906 0.000 1.083 385 N HN 0.596 nan 8.380 nan 0.000 0.455 386 S N 2.507 118.004 115.700 -0.338 0.000 2.392 386 S HA -0.283 3.894 4.470 -0.488 0.000 0.232 386 S C 1.786 176.299 174.600 -0.144 0.000 1.041 386 S CA 1.462 59.557 58.200 -0.176 0.000 1.026 386 S CB -0.856 62.287 63.200 -0.095 0.000 0.845 386 S HN 0.771 nan 8.310 nan 0.000 0.465 387 Y N 1.941 122.227 120.300 -0.023 0.000 2.333 387 Y HA 0.186 4.444 4.550 -0.486 0.000 0.290 387 Y C 1.933 177.836 175.900 0.006 0.000 1.144 387 Y CA 0.614 58.713 58.100 -0.002 0.000 1.228 387 Y CB -0.788 37.678 38.460 0.009 0.000 0.985 387 Y HN 0.169 nan 8.280 nan 0.000 0.542 388 K N 1.021 121.326 120.400 -0.159 0.000 2.288 388 K HA 0.090 4.118 4.320 -0.488 0.000 0.201 388 K C 0.231 176.812 176.600 -0.032 0.000 1.048 388 K CA 0.428 56.667 56.287 -0.081 0.000 0.956 388 K CB -0.134 32.218 32.500 -0.246 0.000 0.746 388 K HN 0.322 nan 8.250 nan 0.000 0.461 389 L N 3.899 125.121 121.223 -0.001 0.000 2.415 389 L HA 0.041 4.088 4.340 -0.488 0.000 0.269 389 L C -0.170 176.775 176.870 0.126 0.000 1.244 389 L CA -0.756 54.128 54.840 0.073 0.000 1.113 389 L CB -0.977 41.153 42.059 0.118 0.000 1.352 389 L HN 0.215 nan 8.230 nan 0.000 0.433 390 N N 2.282 120.942 118.700 -0.066 0.000 2.434 390 N HA 0.352 4.799 4.740 -0.488 0.000 0.266 390 N C -2.104 172.978 175.510 -0.714 0.000 1.223 390 N CA -2.328 50.502 53.050 -0.366 0.000 0.972 390 N CB 0.033 38.343 38.487 -0.295 0.000 1.207 390 N HN -0.119 nan 8.380 nan 0.000 0.525 391 P HA -0.248 nan 4.420 nan 0.000 0.214 391 P C 1.421 178.479 177.300 -0.403 0.000 1.163 391 P CA 1.903 64.317 63.100 -1.144 0.000 0.889 391 P CB 0.125 31.251 31.700 -0.957 0.000 0.790 392 Q N -0.450 119.170 119.800 -0.300 0.000 2.096 392 Q HA -0.168 3.880 4.340 -0.488 0.000 0.204 392 Q C 2.022 177.954 176.000 -0.113 0.000 0.982 392 Q CA 2.295 58.008 55.803 -0.149 0.000 0.850 392 Q CB -0.462 28.204 28.738 -0.119 0.000 0.901 392 Q HN 0.115 nan 8.270 nan 0.000 0.422 393 S N 0.037 115.664 115.700 -0.121 0.000 2.371 393 S HA -0.077 4.100 4.470 -0.488 0.000 0.224 393 S C 1.921 176.525 174.600 0.005 0.000 1.029 393 S CA 1.152 59.301 58.200 -0.084 0.000 0.978 393 S CB -0.089 63.076 63.200 -0.059 0.000 0.833 393 S HN 0.380 nan 8.310 nan 0.000 0.466 394 M N 1.648 121.284 119.600 0.060 0.000 2.086 394 M HA -0.040 4.147 4.480 -0.488 0.000 0.261 394 M C 2.553 179.050 176.300 0.329 0.000 1.067 394 M CA 1.561 57.012 55.300 0.252 0.000 1.116 394 M CB -1.823 31.024 32.600 0.410 0.000 1.348 394 M HN 0.364 nan 8.290 nan 0.000 0.407 395 A N 1.333 124.345 122.820 0.320 0.000 1.903 395 A HA -0.245 3.783 4.320 -0.488 0.000 0.219 395 A C 2.260 179.925 177.584 0.135 0.000 1.191 395 A CA 2.542 54.723 52.037 0.240 0.000 0.638 395 A CB -0.843 18.264 19.000 0.178 0.000 0.823 395 A HN 0.652 nan 8.150 nan 0.000 0.451 396 R N -1.087 119.468 120.500 0.091 0.000 2.115 396 R HA 0.064 4.111 4.340 -0.488 0.000 0.226 396 R C 1.982 178.414 176.300 0.220 0.000 1.100 396 R CA 1.577 57.745 56.100 0.115 0.000 0.980 396 R CB -0.460 29.838 30.300 -0.002 0.000 0.875 396 R HN 0.484 nan 8.270 nan 0.000 0.445 397 M N 1.113 120.834 119.600 0.203 0.000 2.132 397 M HA -0.023 4.164 4.480 -0.488 0.000 0.263 397 M C 2.164 178.540 176.300 0.126 0.000 1.065 397 M CA 1.536 56.953 55.300 0.195 0.000 1.122 397 M CB -0.095 32.596 32.600 0.153 0.000 1.365 397 M HN 0.123 nan 8.290 nan 0.000 0.411 398 L N -0.556 120.740 121.223 0.123 0.000 2.217 398 L HA -0.087 3.961 4.340 -0.488 0.000 0.211 398 L C 2.749 179.644 176.870 0.041 0.000 1.107 398 L CA 0.686 55.568 54.840 0.069 0.000 0.783 398 L CB -0.901 41.185 42.059 0.044 0.000 0.919 398 L HN 0.284 nan 8.230 nan 0.000 0.442 399 A N 0.096 122.953 122.820 0.062 0.000 1.902 399 A HA -0.127 3.901 4.320 -0.488 0.000 0.217 399 A C 2.347 179.954 177.584 0.038 0.000 1.181 399 A CA 1.540 53.604 52.037 0.045 0.000 0.623 399 A CB -0.688 18.350 19.000 0.063 0.000 0.818 399 A HN 0.167 nan 8.150 nan 0.000 0.443 400 V N 0.470 120.417 119.914 0.055 0.000 2.231 400 V HA -0.322 3.505 4.120 -0.488 0.000 0.248 400 V C 2.564 178.663 176.094 0.009 0.000 1.054 400 V CA 2.132 64.447 62.300 0.026 0.000 1.015 400 V CB -0.988 30.848 31.823 0.020 0.000 0.638 400 V HN 0.594 nan 8.190 nan 0.000 0.444 401 L N -0.713 120.517 121.223 0.012 0.000 2.051 401 L HA -0.289 3.759 4.340 -0.488 0.000 0.214 401 L C 2.837 179.700 176.870 -0.012 0.000 1.076 401 L CA 1.993 56.832 54.840 -0.003 0.000 0.758 401 L CB -0.701 41.358 42.059 -0.001 0.000 0.890 401 L HN 0.302 nan 8.230 nan 0.000 0.433 402 R N -0.070 120.423 120.500 -0.012 0.000 2.081 402 R HA -0.176 3.872 4.340 -0.488 0.000 0.235 402 R C 2.073 178.362 176.300 -0.018 0.000 1.131 402 R CA 1.603 57.690 56.100 -0.022 0.000 0.960 402 R CB -0.103 30.182 30.300 -0.025 0.000 0.856 402 R HN 0.456 nan 8.270 nan 0.000 0.436 403 E N -0.517 119.676 120.200 -0.011 0.000 2.385 403 E HA 0.008 4.066 4.350 -0.488 0.000 0.194 403 E C -0.404 176.188 176.600 -0.013 0.000 1.013 403 E CA 0.228 56.622 56.400 -0.011 0.000 0.866 403 E CB 0.716 30.413 29.700 -0.005 0.000 0.832 403 E HN -0.018 nan 8.360 nan 0.000 0.500 404 V N 2.971 122.876 119.914 -0.015 0.000 2.326 404 V HA 0.102 3.930 4.120 -0.488 0.000 0.281 404 V C -1.605 174.477 176.094 -0.020 0.000 1.015 404 V CA -1.189 61.101 62.300 -0.018 0.000 0.823 404 V CB 1.315 33.127 31.823 -0.019 0.000 1.009 404 V HN 0.042 nan 8.190 nan 0.000 0.436 405 P HA -0.095 nan 4.420 nan 0.000 0.216 405 P C 0.803 178.088 177.300 -0.026 0.000 1.153 405 P CA 1.099 64.185 63.100 -0.023 0.000 0.844 405 P CB 0.490 32.177 31.700 -0.022 0.000 0.787 406 D N -0.009 120.375 120.400 -0.028 0.000 2.354 406 D HA -0.065 4.282 4.640 -0.488 0.000 0.216 406 D C 1.119 177.396 176.300 -0.039 0.000 0.970 406 D CA 0.816 54.797 54.000 -0.033 0.000 0.905 406 D CB -0.229 40.551 40.800 -0.034 0.000 0.903 406 D HN 0.284 nan 8.370 nan 0.000 0.508 407 S N -0.917 114.762 115.700 -0.036 0.000 2.664 407 S HA 0.642 4.819 4.470 -0.488 0.000 0.304 407 S C -0.553 174.021 174.600 -0.042 0.000 1.099 407 S CA -0.820 57.357 58.200 -0.038 0.000 1.003 407 S CB 2.199 65.382 63.200 -0.029 0.000 1.092 407 S HN -0.119 nan 8.310 nan 0.000 0.525 408 V N 1.565 121.450 119.914 -0.049 0.000 3.040 408 V HA 0.728 4.555 4.120 -0.488 0.000 0.312 408 V C -1.551 174.518 176.094 -0.042 0.000 1.115 408 V CA -0.965 61.299 62.300 -0.060 0.000 0.998 408 V CB 2.033 33.794 31.823 -0.103 0.000 1.042 408 V HN 0.960 nan 8.190 nan 0.000 0.433 409 L N 4.249 125.445 121.223 -0.044 0.000 2.343 409 L HA 0.603 4.650 4.340 -0.488 0.000 0.278 409 L C -1.542 175.326 176.870 -0.003 0.000 0.996 409 L CA -0.123 54.702 54.840 -0.026 0.000 0.831 409 L CB 1.361 43.403 42.059 -0.028 0.000 1.232 409 L HN 0.741 nan 8.230 nan 0.000 0.413 410 W N 7.319 128.509 121.300 -0.183 0.000 2.361 410 W HA 0.648 5.016 4.660 -0.487 0.000 0.309 410 W C -1.510 174.944 176.519 -0.107 0.000 1.122 410 W CA -1.155 56.106 57.345 -0.140 0.000 1.208 410 W CB 1.014 30.428 29.460 -0.077 0.000 1.246 410 W HN 0.433 nan 8.180 nan 0.000 0.490 411 L N 5.571 126.892 121.223 0.163 0.000 2.309 411 L HA 0.475 4.522 4.340 -0.488 0.000 0.261 411 L C -0.105 176.906 176.870 0.234 0.000 1.021 411 L CA -1.456 53.457 54.840 0.122 0.000 0.823 411 L CB 1.831 43.871 42.059 -0.030 0.000 1.366 411 L HN 0.064 nan 8.230 nan 0.000 0.423 412 L N 0.952 122.314 121.223 0.232 0.000 2.380 412 L HA 0.176 4.223 4.340 -0.488 0.000 0.273 412 L C 0.697 177.698 176.870 0.218 0.000 1.138 412 L CA 0.084 54.980 54.840 0.095 0.000 0.832 412 L CB 1.400 43.466 42.059 0.012 0.000 1.124 412 L HN 0.589 nan 8.230 nan 0.000 0.454 413 S N 1.863 117.679 115.700 0.193 0.000 2.525 413 S HA 0.279 4.456 4.470 -0.488 0.000 0.285 413 S C 0.386 175.020 174.600 0.055 0.000 1.283 413 S CA -0.403 57.900 58.200 0.171 0.000 1.072 413 S CB 0.340 63.598 63.200 0.097 0.000 0.867 413 S HN 0.726 nan 8.310 nan 0.000 0.492 414 G N 4.937 113.745 108.800 0.014 0.000 2.535 414 G HA2 0.624 4.292 3.960 -0.488 0.000 0.303 414 G HA3 0.624 4.292 3.960 -0.488 0.000 0.303 414 G C -2.790 172.075 174.900 -0.060 0.000 1.237 414 G CA -1.322 43.761 45.100 -0.029 0.000 0.986 414 G HN 0.571 nan 8.290 nan 0.000 0.494 415 P HA 0.406 nan 4.420 nan 0.000 0.278 415 P C 1.015 178.273 177.300 -0.069 0.000 1.266 415 P CA 0.731 63.797 63.100 -0.056 0.000 0.807 415 P CB 0.777 32.437 31.700 -0.067 0.000 1.094 416 G N 1.104 109.887 108.800 -0.028 0.000 2.629 416 G HA2 -0.286 3.381 3.960 -0.488 0.000 0.313 416 G HA3 -0.286 3.381 3.960 -0.488 0.000 0.313 416 G C 0.273 175.134 174.900 -0.065 0.000 1.217 416 G CA 0.289 45.375 45.100 -0.024 0.000 0.994 416 G HN 0.581 nan 8.290 nan 0.000 0.549 417 E N 1.067 121.215 120.200 -0.087 0.000 2.734 417 E HA 0.449 4.506 4.350 -0.488 0.000 0.211 417 E C 2.128 178.632 176.600 -0.160 0.000 0.991 417 E CA 0.673 57.004 56.400 -0.116 0.000 1.065 417 E CB 0.493 30.141 29.700 -0.088 0.000 1.047 417 E HN 0.762 nan 8.360 nan 0.000 0.470 418 A N 1.795 124.517 122.820 -0.164 0.000 1.929 418 A HA -0.301 3.726 4.320 -0.488 0.000 0.221 418 A C 1.660 179.119 177.584 -0.209 0.000 1.211 418 A CA 2.358 54.286 52.037 -0.181 0.000 0.657 418 A CB -0.351 18.567 19.000 -0.137 0.000 0.827 418 A HN 0.098 nan 8.150 nan 0.000 0.462 419 D N -0.384 119.819 120.400 -0.327 0.000 2.117 419 D HA 0.040 4.387 4.640 -0.488 0.000 0.198 419 D C 2.218 178.287 176.300 -0.385 0.000 0.982 419 D CA 1.515 55.121 54.000 -0.657 0.000 0.828 419 D CB -0.582 39.520 40.800 -1.164 0.000 0.967 419 D HN 0.484 nan 8.370 nan 0.000 0.464 420 A N 1.021 123.684 122.820 -0.262 0.000 1.940 420 A HA -0.208 3.819 4.320 -0.488 0.000 0.219 420 A C 2.133 179.659 177.584 -0.097 0.000 1.176 420 A CA 1.238 53.187 52.037 -0.147 0.000 0.631 420 A CB -0.334 18.595 19.000 -0.119 0.000 0.814 420 A HN 0.102 nan 8.150 nan 0.000 0.446 421 R N -0.644 119.772 120.500 -0.139 0.000 2.066 421 R HA -0.003 4.044 4.340 -0.488 0.000 0.232 421 R C 2.094 178.339 176.300 -0.091 0.000 1.131 421 R CA 1.379 57.379 56.100 -0.166 0.000 0.955 421 R CB -0.633 29.477 30.300 -0.316 0.000 0.851 421 R HN 0.526 nan 8.270 nan 0.000 0.432 422 L N 0.294 121.498 121.223 -0.031 0.000 2.083 422 L HA -0.149 3.899 4.340 -0.488 0.000 0.209 422 L C 2.707 179.745 176.870 0.280 0.000 1.083 422 L CA 1.293 56.236 54.840 0.173 0.000 0.752 422 L CB -0.430 41.800 42.059 0.286 0.000 0.899 422 L HN 0.143 nan 8.230 nan 0.000 0.433 423 R N 0.066 120.706 120.500 0.233 0.000 2.094 423 R HA -0.207 3.840 4.340 -0.488 0.000 0.239 423 R C 2.451 178.851 176.300 0.168 0.000 1.137 423 R CA 1.740 57.963 56.100 0.206 0.000 0.943 423 R CB -0.592 29.787 30.300 0.132 0.000 0.850 423 R HN 0.385 nan 8.270 nan 0.000 0.433 424 A N 0.402 123.291 122.820 0.115 0.000 1.930 424 A HA -0.186 3.841 4.320 -0.488 0.000 0.217 424 A C 1.974 179.673 177.584 0.192 0.000 1.175 424 A CA 1.098 53.200 52.037 0.109 0.000 0.627 424 A CB -0.649 18.380 19.000 0.048 0.000 0.815 424 A HN 0.387 nan 8.150 nan 0.000 0.443 425 F N 1.220 121.201 119.950 0.052 0.000 2.095 425 F HA -0.145 4.091 4.527 -0.486 0.000 0.298 425 F C 2.528 178.411 175.800 0.139 0.000 1.104 425 F CA 1.162 59.224 58.000 0.103 0.000 1.232 425 F CB -0.619 38.444 39.000 0.104 0.000 0.987 425 F HN 0.253 nan 8.300 nan 0.000 0.475 426 A N -0.817 122.054 122.820 0.086 0.000 1.908 426 A HA -0.306 3.721 4.320 -0.488 0.000 0.218 426 A C 2.061 179.608 177.584 -0.061 0.000 1.181 426 A CA 2.155 54.175 52.037 -0.028 0.000 0.627 426 A CB -1.439 17.622 19.000 0.101 0.000 0.818 426 A HN 0.638 nan 8.150 nan 0.000 0.445 427 H N -0.469 118.574 119.070 -0.045 0.000 2.353 427 H HA 0.051 4.314 4.556 -0.488 0.000 0.300 427 H C 2.307 177.594 175.328 -0.068 0.000 1.090 427 H CA 1.807 57.834 56.048 -0.036 0.000 1.327 427 H CB -0.175 29.586 29.762 -0.001 0.000 1.383 427 H HN 0.442 nan 8.280 nan 0.000 0.508 428 A N 0.191 123.023 122.820 0.019 0.000 1.940 428 A HA -0.177 3.850 4.320 -0.488 0.000 0.219 428 A C 1.955 179.443 177.584 -0.161 0.000 1.176 428 A CA 1.570 53.581 52.037 -0.043 0.000 0.631 428 A CB -0.241 18.765 19.000 0.011 0.000 0.814 428 A HN 0.464 nan 8.150 nan 0.000 0.446 429 Q N -0.857 118.756 119.800 -0.313 0.000 2.431 429 Q HA 0.155 4.203 4.340 -0.488 0.000 0.210 429 Q C 0.892 176.777 176.000 -0.190 0.000 0.958 429 Q CA 0.643 56.270 55.803 -0.293 0.000 0.957 429 Q CB -0.471 28.004 28.738 -0.439 0.000 1.007 429 Q HN 0.962 nan 8.270 nan 0.000 0.511 430 G N 0.381 109.064 108.800 -0.194 0.000 2.298 430 G HA2 -0.219 3.448 3.960 -0.488 0.000 0.287 430 G HA3 -0.219 3.448 3.960 -0.488 0.000 0.287 430 G C -0.300 174.494 174.900 -0.177 0.000 1.075 430 G CA 0.215 45.197 45.100 -0.196 0.000 0.960 430 G HN 0.193 nan 8.290 nan 0.000 0.502 431 V N 0.174 119.975 119.914 -0.188 0.000 2.623 431 V HA 0.390 4.217 4.120 -0.488 0.000 0.304 431 V C 0.087 176.134 176.094 -0.077 0.000 1.054 431 V CA -1.061 61.172 62.300 -0.111 0.000 0.882 431 V CB 1.953 33.736 31.823 -0.067 0.000 1.002 431 V HN 0.457 nan 8.190 nan 0.000 0.424 432 D N 3.582 123.956 120.400 -0.043 0.000 2.581 432 D HA 0.071 4.418 4.640 -0.488 0.000 0.238 432 D C 1.251 177.604 176.300 0.089 0.000 1.145 432 D CA 0.854 54.876 54.000 0.037 0.000 0.866 432 D CB 1.703 42.517 40.800 0.022 0.000 1.151 432 D HN 0.722 nan 8.370 nan 0.000 0.500 433 A N 4.937 127.862 122.820 0.176 0.000 2.024 433 A HA -0.226 3.801 4.320 -0.488 0.000 0.220 433 A C 1.919 179.577 177.584 0.123 0.000 1.164 433 A CA 1.196 53.331 52.037 0.162 0.000 0.643 433 A CB -0.301 18.797 19.000 0.163 0.000 0.806 433 A HN 0.697 nan 8.150 nan 0.000 0.451 434 Q N -0.483 119.370 119.800 0.088 0.000 2.291 434 Q HA -0.102 3.946 4.340 -0.488 0.000 0.205 434 Q C 1.728 177.746 176.000 0.031 0.000 0.970 434 Q CA 0.984 56.823 55.803 0.060 0.000 0.876 434 Q CB -0.174 28.586 28.738 0.036 0.000 0.935 434 Q HN 0.720 nan 8.270 nan 0.000 0.455 435 R N -0.034 120.479 120.500 0.023 0.000 2.299 435 R HA 0.165 4.212 4.340 -0.488 0.000 0.197 435 R C 0.424 176.703 176.300 -0.036 0.000 0.971 435 R CA 0.068 56.160 56.100 -0.014 0.000 1.030 435 R CB 0.173 30.466 30.300 -0.011 0.000 0.932 435 R HN 0.108 nan 8.270 nan 0.000 0.477 436 L N 1.184 122.394 121.223 -0.021 0.000 2.307 436 L HA 0.398 4.445 4.340 -0.488 0.000 0.282 436 L C -0.340 176.391 176.870 -0.232 0.000 1.051 436 L CA -0.770 53.977 54.840 -0.156 0.000 0.804 436 L CB 1.711 43.686 42.059 -0.140 0.000 1.197 436 L HN -0.231 nan 8.230 nan 0.000 0.431 437 V N 2.946 122.640 119.914 -0.367 0.000 2.656 437 V HA 0.476 4.303 4.120 -0.488 0.000 0.307 437 V C -0.758 175.201 176.094 -0.224 0.000 1.051 437 V CA -0.465 61.729 62.300 -0.175 0.000 0.893 437 V CB 2.066 33.794 31.823 -0.158 0.000 0.999 437 V HN 0.387 nan 8.190 nan 0.000 0.426 438 F N 3.837 123.934 119.950 0.245 0.000 2.449 438 F HA 0.590 4.825 4.527 -0.487 0.000 0.342 438 F C 0.229 176.171 175.800 0.235 0.000 1.127 438 F CA -0.481 57.659 58.000 0.234 0.000 0.975 438 F CB 1.812 40.885 39.000 0.123 0.000 1.146 438 F HN 0.356 nan 8.300 nan 0.000 0.444 439 M N 6.751 126.545 119.600 0.323 0.000 2.216 439 M HA 0.405 4.593 4.480 -0.488 0.000 0.356 439 M C -2.376 173.971 176.300 0.079 0.000 1.205 439 M CA -1.588 53.812 55.300 0.167 0.000 1.122 439 M CB 1.336 33.833 32.600 -0.172 0.000 1.571 439 M HN 0.276 nan 8.290 nan 0.000 0.464 440 P HA 0.176 nan 4.420 nan 0.000 0.289 440 P C -1.468 175.819 177.300 -0.022 0.000 1.299 440 P CA -0.460 62.661 63.100 0.034 0.000 0.766 440 P CB 0.478 32.206 31.700 0.046 0.000 1.226 441 K N 0.329 120.715 120.400 -0.023 0.000 2.298 441 K HA 0.397 4.425 4.320 -0.488 0.000 0.280 441 K C -0.669 175.910 176.600 -0.034 0.000 1.032 441 K CA -0.139 56.117 56.287 -0.050 0.000 0.958 441 K CB -0.150 32.330 32.500 -0.033 0.000 0.978 441 K HN 0.387 nan 8.250 nan 0.000 0.472 442 L N 4.708 125.902 121.223 -0.048 0.000 2.466 442 L HA 0.360 4.407 4.340 -0.488 0.000 0.258 442 L C -2.300 174.572 176.870 0.003 0.000 0.973 442 L CA -2.318 52.518 54.840 -0.007 0.000 0.826 442 L CB 2.131 44.202 42.059 0.019 0.000 1.372 442 L HN 0.576 nan 8.230 nan 0.000 0.409 443 P HA -0.050 nan 4.420 nan 0.000 0.264 443 P C 0.335 177.698 177.300 0.105 0.000 1.179 443 P CA 0.207 63.336 63.100 0.048 0.000 0.763 443 P CB 0.455 32.183 31.700 0.046 0.000 0.806 444 H N 5.338 124.446 119.070 0.063 0.000 2.292 444 H HA -0.188 4.076 4.556 -0.488 0.000 0.292 444 H C -0.895 174.562 175.328 0.215 0.000 1.100 444 H CA 2.928 59.086 56.048 0.184 0.000 1.238 444 H CB -1.344 28.492 29.762 0.123 0.000 1.355 444 H HN 0.452 nan 8.280 nan 0.000 0.484 445 P HA -0.112 nan 4.420 nan 0.000 0.217 445 P C 1.186 178.483 177.300 -0.006 0.000 1.150 445 P CA 1.859 64.995 63.100 0.060 0.000 0.832 445 P CB 0.019 31.771 31.700 0.087 0.000 0.787 446 Q N -2.114 117.696 119.800 0.017 0.000 2.096 446 Q HA -0.161 3.886 4.340 -0.488 0.000 0.197 446 Q C 2.170 178.150 176.000 -0.033 0.000 0.964 446 Q CA 0.986 56.792 55.803 0.005 0.000 0.838 446 Q CB -0.756 27.999 28.738 0.029 0.000 0.906 446 Q HN 0.269 nan 8.270 nan 0.000 0.444 447 Y N 1.448 121.654 120.300 -0.156 0.000 2.081 447 Y HA -0.308 3.950 4.550 -0.486 0.000 0.280 447 Y C 1.958 177.722 175.900 -0.227 0.000 1.163 447 Y CA 1.484 59.436 58.100 -0.246 0.000 1.135 447 Y CB -0.527 37.776 38.460 -0.262 0.000 0.970 447 Y HN 0.124 nan 8.280 nan 0.000 0.498 448 L N 1.145 121.969 121.223 -0.666 0.000 2.129 448 L HA -0.143 3.904 4.340 -0.488 0.000 0.212 448 L C 2.447 179.182 176.870 -0.226 0.000 1.087 448 L CA 2.033 56.538 54.840 -0.558 0.000 0.757 448 L CB -1.280 40.559 42.059 -0.366 0.000 0.896 448 L HN 0.414 nan 8.230 nan 0.000 0.434 449 A N -0.948 121.766 122.820 -0.178 0.000 1.969 449 A HA -0.155 3.872 4.320 -0.488 0.000 0.218 449 A C 2.195 179.726 177.584 -0.088 0.000 1.169 449 A CA 1.037 53.020 52.037 -0.089 0.000 0.635 449 A CB -0.461 18.507 19.000 -0.053 0.000 0.810 449 A HN 0.389 nan 8.150 nan 0.000 0.445 450 R N -1.003 119.406 120.500 -0.152 0.000 2.159 450 R HA -0.163 3.885 4.340 -0.488 0.000 0.237 450 R C 1.538 177.829 176.300 -0.014 0.000 1.131 450 R CA 1.353 57.419 56.100 -0.056 0.000 0.982 450 R CB -1.043 29.061 30.300 -0.326 0.000 0.868 450 R HN 0.768 nan 8.270 nan 0.000 0.453 451 Y N 0.624 120.904 120.300 -0.032 0.000 2.483 451 Y HA -0.086 4.171 4.550 -0.488 0.000 0.291 451 Y C 2.355 178.291 175.900 0.060 0.000 1.143 451 Y CA 0.776 58.899 58.100 0.038 0.000 1.289 451 Y CB -0.123 38.319 38.460 -0.030 0.000 0.983 451 Y HN -0.008 nan 8.280 nan 0.000 0.556 452 R N -0.674 119.881 120.500 0.092 0.000 2.152 452 R HA -0.143 3.904 4.340 -0.488 0.000 0.232 452 R C 1.038 177.335 176.300 -0.005 0.000 1.117 452 R CA 1.146 57.232 56.100 -0.024 0.000 0.981 452 R CB -0.286 29.906 30.300 -0.180 0.000 0.870 452 R HN 0.492 nan 8.270 nan 0.000 0.451 453 H N -0.590 118.632 119.070 0.253 0.000 2.539 453 H HA 0.252 4.515 4.556 -0.488 0.000 0.269 453 H C 0.420 175.900 175.328 0.254 0.000 0.980 453 H CA 0.075 56.245 56.048 0.204 0.000 1.152 453 H CB 0.104 29.944 29.762 0.129 0.000 1.407 453 H HN 0.099 nan 8.280 nan 0.000 0.564 454 A N 0.936 124.019 122.820 0.438 0.000 2.425 454 A HA 0.095 4.122 4.320 -0.488 0.000 0.249 454 A C 0.728 178.487 177.584 0.292 0.000 1.084 454 A CA -0.240 52.014 52.037 0.361 0.000 0.781 454 A CB 0.604 19.801 19.000 0.327 0.000 1.019 454 A HN 0.160 nan 8.150 nan 0.000 0.490 455 D N -0.039 120.498 120.400 0.228 0.000 2.338 455 D HA 0.177 4.524 4.640 -0.488 0.000 0.224 455 D C -0.252 176.220 176.300 0.288 0.000 0.967 455 D CA 0.970 55.116 54.000 0.242 0.000 0.896 455 D CB 0.405 41.269 40.800 0.107 0.000 1.028 455 D HN 0.390 nan 8.370 nan 0.000 0.493 456 L N -0.104 121.219 121.223 0.167 0.000 2.526 456 L HA 0.384 4.431 4.340 -0.488 0.000 0.263 456 L C -1.918 175.023 176.870 0.119 0.000 0.943 456 L CA -0.804 54.108 54.840 0.121 0.000 0.859 456 L CB 2.137 44.227 42.059 0.053 0.000 1.313 456 L HN -0.203 nan 8.230 nan 0.000 0.406 457 F N 5.607 125.557 119.950 0.001 0.000 2.405 457 F HA 0.635 4.869 4.527 -0.488 0.000 0.355 457 F C -1.009 174.813 175.800 0.037 0.000 1.121 457 F CA -0.506 57.498 58.000 0.007 0.000 1.112 457 F CB 0.834 39.849 39.000 0.024 0.000 1.126 457 F HN 0.389 nan 8.300 nan 0.000 0.481 458 L N 6.145 127.257 121.223 -0.185 0.000 2.265 458 L HA 0.277 4.325 4.340 -0.488 0.000 0.289 458 L C -0.292 176.686 176.870 0.180 0.000 1.033 458 L CA -0.794 54.119 54.840 0.122 0.000 0.814 458 L CB 1.018 43.151 42.059 0.124 0.000 1.203 458 L HN 0.593 nan 8.230 nan 0.000 0.423 459 D N 1.955 122.665 120.400 0.518 0.000 2.377 459 D HA 0.307 4.654 4.640 -0.488 0.000 0.245 459 D C -0.155 176.271 176.300 0.210 0.000 1.196 459 D CA -0.010 54.261 54.000 0.451 0.000 0.962 459 D CB 1.284 42.353 40.800 0.450 0.000 1.127 459 D HN 0.523 nan 8.370 nan 0.000 0.471 460 T N -1.061 113.588 114.554 0.159 0.000 2.918 460 T HA 0.550 4.607 4.350 -0.488 0.000 0.286 460 T C -0.693 174.064 174.700 0.095 0.000 1.026 460 T CA -0.774 61.360 62.100 0.057 0.000 1.031 460 T CB 1.421 70.307 68.868 0.031 0.000 1.046 460 T HN 0.490 nan 8.240 nan 0.000 0.479 461 H N 1.464 120.497 119.070 -0.061 0.000 2.679 461 H HA 0.491 4.754 4.556 -0.487 0.000 0.360 461 H C -2.393 172.903 175.328 -0.053 0.000 1.105 461 H CA -2.051 53.971 56.048 -0.043 0.000 1.196 461 H CB 2.666 32.364 29.762 -0.106 0.000 1.636 461 H HN 0.359 nan 8.280 nan 0.000 0.531 462 P HA 0.037 nan 4.420 nan 0.000 0.268 462 P C -0.760 176.369 177.300 -0.284 0.000 1.329 462 P CA 0.364 62.906 63.100 -0.930 0.000 0.899 462 P CB 0.256 31.486 31.700 -0.784 0.000 1.378 463 Y N 1.615 121.782 120.300 -0.223 0.000 2.478 463 Y HA 0.306 4.563 4.550 -0.489 0.000 0.329 463 Y C -0.017 175.856 175.900 -0.045 0.000 0.967 463 Y CA -1.140 56.891 58.100 -0.115 0.000 1.255 463 Y CB 0.381 38.770 38.460 -0.118 0.000 1.103 463 Y HN -0.150 nan 8.280 nan 0.000 0.497 464 N N 3.226 122.152 118.700 0.377 0.000 2.441 464 N HA 0.156 4.603 4.740 -0.488 0.000 0.251 464 N C -0.185 175.382 175.510 0.096 0.000 1.242 464 N CA -0.254 52.977 53.050 0.302 0.000 0.898 464 N CB 0.681 39.441 38.487 0.455 0.000 1.100 464 N HN 0.657 nan 8.380 nan 0.000 0.443 465 A N 1.288 124.206 122.820 0.163 0.000 2.587 465 A HA -0.082 3.945 4.320 -0.488 0.000 0.233 465 A C -0.012 177.779 177.584 0.346 0.000 1.049 465 A CA 0.470 52.603 52.037 0.161 0.000 0.754 465 A CB 0.094 19.271 19.000 0.295 0.000 0.977 465 A HN 0.803 nan 8.150 nan 0.000 0.509 466 H N 1.014 120.156 119.070 0.121 0.000 2.269 466 H HA 0.063 4.326 4.556 -0.488 0.000 0.216 466 H C 2.384 177.758 175.328 0.077 0.000 0.985 466 H CA 1.863 57.999 56.048 0.147 0.000 1.274 466 H CB -0.986 28.928 29.762 0.253 0.000 1.283 466 H HN 0.731 nan 8.280 nan 0.000 0.491 467 T N -0.262 114.427 114.554 0.225 0.000 2.867 467 T HA -0.145 3.912 4.350 -0.488 0.000 0.268 467 T C 1.963 176.748 174.700 0.141 0.000 1.057 467 T CA 2.015 64.197 62.100 0.136 0.000 1.136 467 T CB -0.782 68.163 68.868 0.128 0.000 0.874 467 T HN 0.497 nan 8.240 nan 0.000 0.466 468 T N 0.457 115.119 114.554 0.179 0.000 2.904 468 T HA 0.248 4.305 4.350 -0.488 0.000 0.267 468 T C 2.309 176.954 174.700 -0.091 0.000 1.059 468 T CA 0.762 63.002 62.100 0.234 0.000 1.137 468 T CB -0.689 68.441 68.868 0.436 0.000 0.879 468 T HN 0.477 nan 8.240 nan 0.000 0.467 469 A N 1.417 124.141 122.820 -0.160 0.000 1.969 469 A HA 0.031 4.059 4.320 -0.488 0.000 0.218 469 A C 2.670 180.123 177.584 -0.219 0.000 1.169 469 A CA 1.857 53.674 52.037 -0.367 0.000 0.635 469 A CB -1.122 17.773 19.000 -0.174 0.000 0.810 469 A HN 0.553 nan 8.150 nan 0.000 0.445 470 S N -0.416 115.238 115.700 -0.076 0.000 2.406 470 S HA -0.140 4.037 4.470 -0.488 0.000 0.228 470 S C 1.582 176.211 174.600 0.049 0.000 1.020 470 S CA 1.445 59.656 58.200 0.018 0.000 0.965 470 S CB -0.446 62.753 63.200 -0.001 0.000 0.798 470 S HN 0.536 nan 8.310 nan 0.000 0.488 471 D N 1.760 122.129 120.400 -0.052 0.000 2.084 471 D HA 0.011 4.358 4.640 -0.488 0.000 0.194 471 D C 2.326 178.316 176.300 -0.517 0.000 0.990 471 D CA 1.389 55.307 54.000 -0.136 0.000 0.826 471 D CB -0.836 39.959 40.800 -0.009 0.000 0.971 471 D HN 0.470 nan 8.370 nan 0.000 0.453 472 A N 0.949 123.280 122.820 -0.815 0.000 1.859 472 A HA -0.199 3.828 4.320 -0.488 0.000 0.217 472 A C 2.451 179.830 177.584 -0.342 0.000 1.198 472 A CA 1.444 53.012 52.037 -0.781 0.000 0.629 472 A CB -1.073 17.577 19.000 -0.584 0.000 0.830 472 A HN 0.234 nan 8.150 nan 0.000 0.446 473 L N -1.780 119.335 121.223 -0.180 0.000 2.042 473 L HA -0.227 3.821 4.340 -0.488 0.000 0.210 473 L C 2.634 179.471 176.870 -0.055 0.000 1.076 473 L CA 1.660 56.481 54.840 -0.031 0.000 0.749 473 L CB -0.541 41.605 42.059 0.145 0.000 0.893 473 L HN 0.806 nan 8.230 nan 0.000 0.432 474 W N 1.270 122.389 121.300 -0.302 0.000 2.342 474 W HA -0.263 4.104 4.660 -0.487 0.000 0.297 474 W C 2.429 178.718 176.519 -0.383 0.000 1.213 474 W CA 2.001 58.984 57.345 -0.603 0.000 1.251 474 W CB -0.129 29.017 29.460 -0.523 0.000 1.136 474 W HN 0.359 nan 8.180 nan 0.000 0.526 475 T N -2.378 111.985 114.554 -0.319 0.000 3.085 475 T HA 0.206 4.263 4.350 -0.488 0.000 0.263 475 T C 1.525 176.072 174.700 -0.254 0.000 1.127 475 T CA 1.478 63.385 62.100 -0.321 0.000 1.103 475 T CB -0.201 68.585 68.868 -0.136 0.000 0.921 475 T HN 0.415 nan 8.240 nan 0.000 0.510 476 G N -0.139 108.516 108.800 -0.242 0.000 2.175 476 G HA2 -0.194 3.473 3.960 -0.488 0.000 0.182 476 G HA3 -0.194 3.473 3.960 -0.488 0.000 0.182 476 G C 0.233 174.981 174.900 -0.253 0.000 1.003 476 G CA -0.290 44.686 45.100 -0.206 0.000 0.666 476 G HN 0.828 nan 8.290 nan 0.000 0.506 477 C N 3.890 123.073 119.300 -0.196 0.000 2.482 477 C HA 0.650 4.818 4.460 -0.488 0.000 0.378 477 C C -1.174 173.699 174.990 -0.195 0.000 1.284 477 C CA -1.988 56.908 59.018 -0.204 0.000 1.826 477 C CB 0.301 28.069 27.740 0.047 0.000 2.473 477 C HN 0.428 nan 8.230 nan 0.000 0.562 478 P HA 0.110 nan 4.420 nan 0.000 0.267 478 P C -0.896 176.404 177.300 -0.001 0.000 1.200 478 P CA 0.364 63.392 63.100 -0.121 0.000 0.772 478 P CB 0.568 32.194 31.700 -0.122 0.000 0.855 479 V N 4.190 124.113 119.914 0.015 0.000 2.444 479 V HA 0.245 4.072 4.120 -0.488 0.000 0.294 479 V C 0.190 176.354 176.094 0.117 0.000 1.022 479 V CA -0.735 61.628 62.300 0.104 0.000 0.850 479 V CB 1.527 33.342 31.823 -0.013 0.000 0.992 479 V HN 0.405 nan 8.190 nan 0.000 0.426 480 L N 4.941 126.265 121.223 0.169 0.000 2.295 480 L HA 0.866 4.913 4.340 -0.488 0.000 0.285 480 L C -0.016 177.080 176.870 0.378 0.000 1.035 480 L CA 0.859 55.766 54.840 0.111 0.000 0.806 480 L CB 1.773 43.711 42.059 -0.201 0.000 1.214 480 L HN 0.818 nan 8.230 nan 0.000 0.426 481 T N 1.505 116.283 114.554 0.372 0.000 2.868 481 T HA 0.604 4.662 4.350 -0.488 0.000 0.306 481 T C -1.041 173.864 174.700 0.342 0.000 1.224 481 T CA -0.053 62.288 62.100 0.401 0.000 1.012 481 T CB 1.376 70.401 68.868 0.262 0.000 1.221 481 T HN 0.732 nan 8.240 nan 0.000 0.499 482 T N 2.155 116.853 114.554 0.240 0.000 3.053 482 T HA 0.596 4.653 4.350 -0.488 0.000 0.363 482 T C -2.905 171.884 174.700 0.149 0.000 1.239 482 T CA -1.742 60.447 62.100 0.147 0.000 1.071 482 T CB 0.528 69.395 68.868 -0.002 0.000 1.089 482 T HN 0.318 nan 8.240 nan 0.000 0.527 483 P HA 0.265 nan 4.420 nan 0.000 0.262 483 P C 0.823 178.202 177.300 0.132 0.000 1.199 483 P CA 0.289 63.517 63.100 0.213 0.000 0.763 483 P CB 0.579 32.469 31.700 0.316 0.000 0.790 484 G N 2.593 111.491 108.800 0.163 0.000 2.773 484 G HA2 0.151 3.818 3.960 -0.488 0.000 0.186 484 G HA3 0.151 3.818 3.960 -0.488 0.000 0.186 484 G C 0.134 175.060 174.900 0.043 0.000 1.411 484 G CA -0.290 44.900 45.100 0.150 0.000 1.054 484 G HN 0.442 nan 8.290 nan 0.000 0.579 485 E N -0.596 119.620 120.200 0.027 0.000 2.583 485 E HA 0.164 4.222 4.350 -0.488 0.000 0.213 485 E C -0.081 176.485 176.600 -0.057 0.000 0.989 485 E CA 0.014 56.393 56.400 -0.034 0.000 0.991 485 E CB 0.893 30.564 29.700 -0.049 0.000 1.040 485 E HN 0.455 nan 8.360 nan 0.000 0.481 486 T N -3.397 111.135 114.554 -0.037 0.000 2.906 486 T HA 0.253 4.310 4.350 -0.488 0.000 0.295 486 T C 0.525 175.266 174.700 0.068 0.000 1.061 486 T CA -0.817 61.276 62.100 -0.011 0.000 1.000 486 T CB 1.268 70.088 68.868 -0.080 0.000 1.103 486 T HN -0.033 nan 8.240 nan 0.000 0.486 487 F N 1.988 121.936 119.950 -0.004 0.000 2.085 487 F HA -0.179 4.056 4.527 -0.487 0.000 0.299 487 F C 2.546 178.319 175.800 -0.045 0.000 1.096 487 F CA 2.548 60.536 58.000 -0.019 0.000 1.227 487 F CB -0.574 38.433 39.000 0.012 0.000 0.983 487 F HN 0.793 nan 8.300 nan 0.000 0.482 488 A N -0.417 122.529 122.820 0.210 0.000 2.067 488 A HA 0.115 4.142 4.320 -0.488 0.000 0.219 488 A C 1.986 179.676 177.584 0.177 0.000 1.158 488 A CA 1.212 53.360 52.037 0.184 0.000 0.661 488 A CB -1.186 17.727 19.000 -0.146 0.000 0.801 488 A HN 0.474 nan 8.150 nan 0.000 0.452 489 A N -1.058 121.791 122.820 0.049 0.000 2.337 489 A HA 0.316 4.344 4.320 -0.488 0.000 0.227 489 A C 1.415 179.069 177.584 0.116 0.000 1.259 489 A CA -0.053 52.021 52.037 0.062 0.000 0.870 489 A CB -0.110 18.863 19.000 -0.044 0.000 0.927 489 A HN 0.432 nan 8.150 nan 0.000 0.497 490 R N -1.351 119.181 120.500 0.054 0.000 2.590 490 R HA 0.215 4.263 4.340 -0.488 0.000 0.410 490 R C 0.552 176.895 176.300 0.073 0.000 1.010 490 R CA 0.067 56.230 56.100 0.105 0.000 1.155 490 R CB 0.613 30.924 30.300 0.018 0.000 1.455 490 R HN 0.266 nan 8.270 nan 0.000 0.567 491 V N 0.433 120.350 119.914 0.004 0.000 2.379 491 V HA -0.101 3.727 4.120 -0.488 0.000 0.243 491 V C 2.380 178.522 176.094 0.080 0.000 1.035 491 V CA 2.175 64.472 62.300 -0.006 0.000 1.035 491 V CB -0.196 31.493 31.823 -0.223 0.000 0.673 491 V HN 0.387 nan 8.190 nan 0.000 0.457 492 A N 0.836 123.733 122.820 0.128 0.000 1.851 492 A HA -0.154 3.873 4.320 -0.488 0.000 0.216 492 A C 2.456 180.044 177.584 0.007 0.000 1.195 492 A CA 2.201 54.289 52.037 0.087 0.000 0.622 492 A CB -1.520 17.571 19.000 0.151 0.000 0.831 492 A HN 0.525 nan 8.150 nan 0.000 0.444 493 G N -0.708 108.117 108.800 0.042 0.000 2.547 493 G HA2 -0.342 3.325 3.960 -0.488 0.000 0.221 493 G HA3 -0.342 3.325 3.960 -0.488 0.000 0.221 493 G C 1.978 176.442 174.900 -0.726 0.000 1.140 493 G CA 1.947 46.964 45.100 -0.138 0.000 0.760 493 G HN 0.719 nan 8.290 nan 0.000 0.583 494 S N -0.287 115.152 115.700 -0.435 0.000 2.402 494 S HA 0.076 4.253 4.470 -0.488 0.000 0.229 494 S C 2.408 176.997 174.600 -0.018 0.000 1.021 494 S CA 0.924 58.929 58.200 -0.325 0.000 0.974 494 S CB -0.195 63.145 63.200 0.233 0.000 0.800 494 S HN 0.358 nan 8.310 nan 0.000 0.484 495 L N 1.175 122.361 121.223 -0.063 0.000 2.027 495 L HA -0.066 3.981 4.340 -0.488 0.000 0.206 495 L C 2.606 179.423 176.870 -0.089 0.000 1.074 495 L CA 1.189 55.986 54.840 -0.072 0.000 0.745 495 L CB -0.804 41.196 42.059 -0.098 0.000 0.898 495 L HN 0.299 nan 8.230 nan 0.000 0.433 496 N N -0.392 118.236 118.700 -0.119 0.000 2.025 496 N HA -0.255 4.192 4.740 -0.488 0.000 0.194 496 N C 1.826 177.249 175.510 -0.144 0.000 1.044 496 N CA 1.637 54.622 53.050 -0.108 0.000 0.851 496 N CB -0.598 37.836 38.487 -0.089 0.000 1.036 496 N HN 0.336 nan 8.380 nan 0.000 0.422 497 H N -0.058 118.788 119.070 -0.374 0.000 2.321 497 H HA -0.109 4.154 4.556 -0.488 0.000 0.295 497 H C 1.619 176.758 175.328 -0.314 0.000 1.102 497 H CA 2.246 58.049 56.048 -0.409 0.000 1.266 497 H CB -0.420 28.907 29.762 -0.726 0.000 1.363 497 H HN 0.457 nan 8.280 nan 0.000 0.492 498 H N -1.516 117.399 119.070 -0.259 0.000 2.524 498 H HA 0.003 4.266 4.556 -0.488 0.000 0.282 498 H C 1.746 176.948 175.328 -0.210 0.000 1.016 498 H CA 0.605 56.508 56.048 -0.240 0.000 1.270 498 H CB 0.298 29.983 29.762 -0.128 0.000 1.394 498 H HN 0.241 nan 8.280 nan 0.000 0.568 499 L N -0.925 120.245 121.223 -0.088 0.000 2.270 499 L HA 0.178 4.226 4.340 -0.488 0.000 0.210 499 L C 1.617 178.437 176.870 -0.083 0.000 1.104 499 L CA 1.650 56.449 54.840 -0.070 0.000 0.804 499 L CB -0.429 41.605 42.059 -0.041 0.000 0.937 499 L HN 0.505 nan 8.230 nan 0.000 0.450 500 G N -0.981 107.736 108.800 -0.139 0.000 2.154 500 G HA2 -0.198 3.469 3.960 -0.488 0.000 0.186 500 G HA3 -0.198 3.469 3.960 -0.488 0.000 0.186 500 G C 0.404 175.257 174.900 -0.077 0.000 1.000 500 G CA 0.074 45.100 45.100 -0.124 0.000 0.664 500 G HN 0.237 nan 8.290 nan 0.000 0.513 501 L N 1.476 122.657 121.223 -0.069 0.000 3.029 501 L HA 0.321 4.368 4.340 -0.488 0.000 0.231 501 L C 1.192 178.052 176.870 -0.016 0.000 1.327 501 L CA -0.602 54.217 54.840 -0.036 0.000 1.166 501 L CB 0.310 42.349 42.059 -0.034 0.000 1.532 501 L HN 0.031 nan 8.230 nan 0.000 0.473 502 D N 1.061 121.463 120.400 0.004 0.000 2.221 502 D HA -0.211 4.136 4.640 -0.488 0.000 0.204 502 D C 1.846 178.174 176.300 0.047 0.000 0.982 502 D CA 1.258 55.290 54.000 0.054 0.000 0.857 502 D CB 0.313 41.172 40.800 0.097 0.000 0.934 502 D HN 0.605 nan 8.370 nan 0.000 0.475 503 E N 0.249 120.466 120.200 0.028 0.000 2.472 503 E HA -0.145 3.913 4.350 -0.488 0.000 0.200 503 E C 1.320 177.934 176.600 0.023 0.000 1.046 503 E CA 0.550 56.965 56.400 0.025 0.000 0.871 503 E CB -0.035 29.674 29.700 0.014 0.000 0.806 503 E HN 0.209 nan 8.360 nan 0.000 0.533 504 M N 0.733 120.347 119.600 0.024 0.000 2.382 504 M HA 0.186 4.373 4.480 -0.488 0.000 0.247 504 M C -0.223 176.114 176.300 0.062 0.000 1.104 504 M CA -0.006 55.309 55.300 0.025 0.000 1.030 504 M CB -0.156 32.450 32.600 0.010 0.000 1.424 504 M HN -0.095 nan 8.290 nan 0.000 0.486 505 N N 2.024 120.768 118.700 0.073 0.000 2.462 505 N HA 0.333 4.781 4.740 -0.488 0.000 0.242 505 N C -0.273 175.307 175.510 0.117 0.000 1.010 505 N CA -0.044 53.075 53.050 0.116 0.000 0.939 505 N CB 1.394 39.960 38.487 0.131 0.000 1.127 505 N HN 0.060 nan 8.380 nan 0.000 0.509 506 V N -0.635 119.360 119.914 0.134 0.000 3.093 506 V HA 0.807 4.634 4.120 -0.488 0.000 0.320 506 V C 1.144 177.299 176.094 0.101 0.000 1.093 506 V CA -0.651 61.716 62.300 0.112 0.000 1.016 506 V CB 1.309 33.200 31.823 0.113 0.000 1.096 506 V HN 0.416 nan 8.190 nan 0.000 0.452 507 A N 1.216 124.077 122.820 0.069 0.000 1.872 507 A HA 0.212 4.239 4.320 -0.488 0.000 0.214 507 A C 0.797 178.389 177.584 0.013 0.000 1.187 507 A CA 1.749 53.808 52.037 0.038 0.000 0.614 507 A CB -0.763 18.253 19.000 0.026 0.000 0.826 507 A HN 1.241 nan 8.150 nan 0.000 0.442 508 D N -3.963 116.451 120.400 0.023 0.000 2.759 508 D HA 0.258 4.605 4.640 -0.488 0.000 0.321 508 D C -0.452 175.854 176.300 0.009 0.000 1.267 508 D CA -0.339 53.647 54.000 -0.023 0.000 0.933 508 D CB -0.291 40.491 40.800 -0.031 0.000 1.431 508 D HN -0.144 nan 8.370 nan 0.000 0.504 509 D N -0.003 120.367 120.400 -0.050 0.000 2.126 509 D HA -0.166 4.182 4.640 -0.488 0.000 0.190 509 D C 1.968 178.322 176.300 0.090 0.000 1.001 509 D CA 2.831 56.823 54.000 -0.014 0.000 0.841 509 D CB -0.655 40.105 40.800 -0.067 0.000 0.949 509 D HN 0.533 nan 8.370 nan 0.000 0.446 510 A N 0.732 123.584 122.820 0.053 0.000 1.933 510 A HA -0.055 3.973 4.320 -0.488 0.000 0.218 510 A C 2.298 179.931 177.584 0.081 0.000 1.175 510 A CA 2.416 54.488 52.037 0.059 0.000 0.628 510 A CB -0.733 18.285 19.000 0.031 0.000 0.814 510 A HN 0.258 nan 8.150 nan 0.000 0.444 511 A N -1.299 121.573 122.820 0.086 0.000 1.898 511 A HA 0.003 4.030 4.320 -0.488 0.000 0.216 511 A C 2.013 179.670 177.584 0.123 0.000 1.181 511 A CA 1.444 53.533 52.037 0.085 0.000 0.620 511 A CB -0.720 18.325 19.000 0.074 0.000 0.819 511 A HN 0.588 nan 8.150 nan 0.000 0.442 512 F N 1.039 120.993 119.950 0.005 0.000 2.043 512 F HA -0.256 3.979 4.527 -0.487 0.000 0.297 512 F C 2.332 178.140 175.800 0.013 0.000 1.121 512 F CA 2.453 60.461 58.000 0.014 0.000 1.199 512 F CB -0.359 38.647 39.000 0.010 0.000 0.968 512 F HN 0.055 nan 8.300 nan 0.000 0.478 513 V N 0.430 120.485 119.914 0.235 0.000 2.332 513 V HA -0.329 3.498 4.120 -0.488 0.000 0.248 513 V C 2.661 178.762 176.094 0.011 0.000 1.055 513 V CA 1.736 64.097 62.300 0.103 0.000 1.038 513 V CB -1.872 30.021 31.823 0.118 0.000 0.651 513 V HN 0.510 nan 8.190 nan 0.000 0.450 514 A N 0.400 123.234 122.820 0.023 0.000 1.851 514 A HA -0.288 3.739 4.320 -0.488 0.000 0.216 514 A C 2.274 179.841 177.584 -0.028 0.000 1.195 514 A CA 2.463 54.501 52.037 0.002 0.000 0.622 514 A CB -0.592 18.417 19.000 0.014 0.000 0.831 514 A HN 0.467 nan 8.150 nan 0.000 0.444 515 K N -0.036 120.336 120.400 -0.047 0.000 2.103 515 K HA -0.026 4.001 4.320 -0.488 0.000 0.207 515 K C 1.980 178.516 176.600 -0.107 0.000 1.048 515 K CA 1.679 57.923 56.287 -0.072 0.000 0.930 515 K CB -0.521 31.930 32.500 -0.081 0.000 0.716 515 K HN 0.367 nan 8.250 nan 0.000 0.444 516 A N -0.126 122.590 122.820 -0.174 0.000 1.873 516 A HA -0.079 3.948 4.320 -0.488 0.000 0.215 516 A C 2.284 179.814 177.584 -0.090 0.000 1.186 516 A CA 1.705 53.635 52.037 -0.179 0.000 0.616 516 A CB -0.780 18.049 19.000 -0.284 0.000 0.823 516 A HN 0.105 nan 8.150 nan 0.000 0.442 517 V N 0.160 120.036 119.914 -0.062 0.000 2.392 517 V HA -0.288 3.540 4.120 -0.488 0.000 0.249 517 V C 3.027 179.103 176.094 -0.029 0.000 1.059 517 V CA 1.947 64.226 62.300 -0.034 0.000 1.051 517 V CB -1.368 30.444 31.823 -0.019 0.000 0.658 517 V HN 0.623 nan 8.190 nan 0.000 0.455 518 A N 0.018 122.819 122.820 -0.031 0.000 1.865 518 A HA -0.178 3.849 4.320 -0.488 0.000 0.217 518 A C 2.219 179.790 177.584 -0.021 0.000 1.191 518 A CA 2.044 54.068 52.037 -0.022 0.000 0.623 518 A CB -0.556 18.431 19.000 -0.021 0.000 0.826 518 A HN 0.501 nan 8.150 nan 0.000 0.444 519 L N -0.843 120.364 121.223 -0.027 0.000 2.027 519 L HA -0.151 3.896 4.340 -0.488 0.000 0.206 519 L C 3.089 179.952 176.870 -0.012 0.000 1.074 519 L CA 1.111 55.942 54.840 -0.015 0.000 0.745 519 L CB -0.606 41.443 42.059 -0.017 0.000 0.898 519 L HN 0.413 nan 8.230 nan 0.000 0.433 520 A N 0.001 122.809 122.820 -0.021 0.000 1.978 520 A HA -0.182 3.845 4.320 -0.488 0.000 0.220 520 A C 2.328 179.901 177.584 -0.017 0.000 1.170 520 A CA 2.030 54.056 52.037 -0.018 0.000 0.636 520 A CB -0.539 18.446 19.000 -0.024 0.000 0.810 520 A HN 0.530 nan 8.150 nan 0.000 0.448 521 S N -1.661 114.028 115.700 -0.017 0.000 2.540 521 S HA 0.195 4.372 4.470 -0.488 0.000 0.218 521 S C -0.043 174.549 174.600 -0.014 0.000 0.977 521 S CA 0.254 58.444 58.200 -0.016 0.000 0.918 521 S CB 0.088 63.278 63.200 -0.016 0.000 0.806 521 S HN 0.375 nan 8.310 nan 0.000 0.496 522 D N 2.079 122.471 120.400 -0.013 0.000 2.420 522 D HA 0.367 4.715 4.640 -0.488 0.000 0.255 522 D C -2.048 174.246 176.300 -0.010 0.000 1.185 522 D CA -2.224 51.769 54.000 -0.011 0.000 0.904 522 D CB 1.933 42.728 40.800 -0.008 0.000 1.102 522 D HN -0.036 nan 8.370 nan 0.000 0.534 523 P HA -0.012 nan 4.420 nan 0.000 0.225 523 P C 1.136 178.425 177.300 -0.017 0.000 1.156 523 P CA 0.379 63.468 63.100 -0.019 0.000 0.787 523 P CB 0.400 32.084 31.700 -0.027 0.000 0.802 524 A N 1.091 123.903 122.820 -0.013 0.000 1.877 524 A HA -0.072 3.956 4.320 -0.488 0.000 0.216 524 A C 2.474 180.057 177.584 -0.001 0.000 1.186 524 A CA 2.244 54.275 52.037 -0.009 0.000 0.620 524 A CB -1.535 17.460 19.000 -0.008 0.000 0.822 524 A HN 0.229 nan 8.150 nan 0.000 0.443 525 A N -0.938 121.883 122.820 0.002 0.000 1.968 525 A HA 0.091 4.118 4.320 -0.488 0.000 0.217 525 A C 2.136 179.734 177.584 0.023 0.000 1.169 525 A CA 1.488 53.531 52.037 0.009 0.000 0.638 525 A CB -0.492 18.510 19.000 0.004 0.000 0.812 525 A HN 0.618 nan 8.150 nan 0.000 0.446 526 L N -0.335 120.903 121.223 0.024 0.000 2.044 526 L HA -0.085 3.962 4.340 -0.488 0.000 0.205 526 L C 2.498 179.418 176.870 0.084 0.000 1.075 526 L CA 2.577 57.452 54.840 0.058 0.000 0.747 526 L CB -0.666 41.414 42.059 0.035 0.000 0.903 526 L HN 0.359 nan 8.230 nan 0.000 0.435 527 T N -0.133 114.426 114.554 0.009 0.000 2.788 527 T HA -0.155 3.902 4.350 -0.488 0.000 0.268 527 T C 1.872 176.597 174.700 0.041 0.000 1.044 527 T CA 1.248 63.335 62.100 -0.021 0.000 1.139 527 T CB -0.580 68.263 68.868 -0.042 0.000 0.867 527 T HN 0.501 nan 8.240 nan 0.000 0.454 528 A N 1.142 123.985 122.820 0.038 0.000 1.968 528 A HA 0.109 4.136 4.320 -0.488 0.000 0.217 528 A C 2.216 179.831 177.584 0.052 0.000 1.169 528 A CA 0.868 52.927 52.037 0.036 0.000 0.638 528 A CB -0.680 18.332 19.000 0.019 0.000 0.812 528 A HN 0.388 nan 8.150 nan 0.000 0.446 529 L N -0.489 120.775 121.223 0.069 0.000 2.046 529 L HA -0.185 3.862 4.340 -0.488 0.000 0.208 529 L C 2.301 179.206 176.870 0.058 0.000 1.077 529 L CA 2.162 57.035 54.840 0.056 0.000 0.747 529 L CB -0.857 41.235 42.059 0.055 0.000 0.896 529 L HN 0.537 nan 8.230 nan 0.000 0.432 530 H N -0.740 118.323 119.070 -0.011 0.000 2.319 530 H HA -0.127 4.136 4.556 -0.488 0.000 0.299 530 H C 2.082 177.395 175.328 -0.026 0.000 1.092 530 H CA 1.409 57.446 56.048 -0.017 0.000 1.302 530 H CB -0.050 29.703 29.762 -0.015 0.000 1.373 530 H HN 0.527 nan 8.280 nan 0.000 0.497 531 A N 1.069 123.957 122.820 0.113 0.000 1.948 531 A HA -0.248 3.779 4.320 -0.488 0.000 0.220 531 A C 2.411 180.005 177.584 0.017 0.000 1.177 531 A CA 1.946 54.010 52.037 0.044 0.000 0.636 531 A CB -0.520 18.498 19.000 0.030 0.000 0.815 531 A HN 0.310 nan 8.150 nan 0.000 0.449 532 R N -0.765 119.744 120.500 0.015 0.000 2.073 532 R HA -0.018 4.029 4.340 -0.488 0.000 0.229 532 R C 1.932 178.223 176.300 -0.015 0.000 1.120 532 R CA 1.391 57.491 56.100 -0.001 0.000 0.967 532 R CB -0.474 29.826 30.300 -0.000 0.000 0.862 532 R HN 0.243 nan 8.270 nan 0.000 0.436 533 V N 1.380 121.273 119.914 -0.035 0.000 2.282 533 V HA -0.306 3.522 4.120 -0.488 0.000 0.249 533 V C 1.821 177.887 176.094 -0.048 0.000 1.057 533 V CA 2.381 64.647 62.300 -0.056 0.000 1.032 533 V CB -0.612 31.137 31.823 -0.124 0.000 0.645 533 V HN 0.470 nan 8.190 nan 0.000 0.447 534 D N -0.517 119.853 120.400 -0.050 0.000 2.144 534 D HA -0.140 4.207 4.640 -0.488 0.000 0.199 534 D C 1.966 178.242 176.300 -0.040 0.000 0.984 534 D CA 1.321 55.283 54.000 -0.064 0.000 0.834 534 D CB -0.010 40.759 40.800 -0.052 0.000 0.955 534 D HN 0.247 nan 8.370 nan 0.000 0.465 535 V N 0.285 120.189 119.914 -0.017 0.000 2.307 535 V HA -0.176 3.651 4.120 -0.488 0.000 0.245 535 V C 2.531 178.632 176.094 0.013 0.000 1.045 535 V CA 1.173 63.472 62.300 -0.001 0.000 1.024 535 V CB -0.462 31.363 31.823 0.003 0.000 0.651 535 V HN 0.304 nan 8.190 nan 0.000 0.449 536 L N -0.251 120.977 121.223 0.009 0.000 2.201 536 L HA -0.122 3.926 4.340 -0.488 0.000 0.212 536 L C 2.708 179.609 176.870 0.051 0.000 1.105 536 L CA 1.333 56.185 54.840 0.019 0.000 0.775 536 L CB -0.577 41.485 42.059 0.004 0.000 0.913 536 L HN 0.287 nan 8.230 nan 0.000 0.440 537 R N 0.784 121.314 120.500 0.051 0.000 2.081 537 R HA -0.186 3.861 4.340 -0.488 0.000 0.235 537 R C 2.340 178.715 176.300 0.125 0.000 1.131 537 R CA 1.612 57.774 56.100 0.103 0.000 0.960 537 R CB -0.077 30.186 30.300 -0.062 0.000 0.856 537 R HN 0.235 nan 8.270 nan 0.000 0.436 538 R N -0.794 119.750 120.500 0.072 0.000 2.312 538 R HA 0.114 4.161 4.340 -0.488 0.000 0.205 538 R C 1.044 177.474 176.300 0.217 0.000 0.904 538 R CA 0.739 56.922 56.100 0.139 0.000 1.052 538 R CB 0.377 30.721 30.300 0.074 0.000 1.014 538 R HN 0.255 nan 8.270 nan 0.000 0.503 539 A N 0.077 122.975 122.820 0.130 0.000 2.259 539 A HA 0.140 4.167 4.320 -0.488 0.000 0.213 539 A C 0.754 178.405 177.584 0.111 0.000 1.209 539 A CA 0.152 52.285 52.037 0.160 0.000 0.910 539 A CB 0.276 19.335 19.000 0.099 0.000 0.946 539 A HN 0.342 nan 8.150 nan 0.000 0.497 540 S N -0.861 114.827 115.700 -0.020 0.000 2.645 540 S HA 0.457 4.634 4.470 -0.488 0.000 0.266 540 S C 1.167 175.585 174.600 -0.303 0.000 1.258 540 S CA 0.238 58.392 58.200 -0.075 0.000 0.990 540 S CB 1.264 64.427 63.200 -0.063 0.000 0.967 540 S HN 0.565 nan 8.310 nan 0.000 0.556 541 G N 0.173 108.875 108.800 -0.164 0.000 2.985 541 G HA2 0.097 3.764 3.960 -0.488 0.000 0.209 541 G HA3 0.097 3.764 3.960 -0.488 0.000 0.209 541 G C 1.037 175.826 174.900 -0.184 0.000 1.165 541 G CA 0.281 45.290 45.100 -0.151 0.000 0.776 541 G HN 0.600 nan 8.290 nan 0.000 0.541 542 V N 0.030 119.797 119.914 -0.245 0.000 2.324 542 V HA -0.118 3.709 4.120 -0.488 0.000 0.250 542 V C 1.595 177.399 176.094 -0.482 0.000 1.060 542 V CA 1.387 63.464 62.300 -0.372 0.000 1.042 542 V CB -0.481 31.016 31.823 -0.544 0.000 0.650 542 V HN 0.431 nan 8.190 nan 0.000 0.450 543 F N -1.255 118.608 119.950 -0.146 0.000 2.850 543 F HA 0.337 4.571 4.527 -0.488 0.000 0.306 543 F C 0.613 176.423 175.800 0.016 0.000 1.162 543 F CA -0.340 57.624 58.000 -0.060 0.000 1.327 543 F CB -0.022 39.053 39.000 0.127 0.000 0.953 543 F HN 0.217 nan 8.300 nan 0.000 0.507 544 H N 0.580 119.744 119.070 0.156 0.000 2.486 544 H HA 0.165 4.428 4.556 -0.488 0.000 0.239 544 H C 1.322 176.704 175.328 0.091 0.000 1.480 544 H CA -0.668 55.452 56.048 0.120 0.000 1.324 544 H CB 0.663 30.490 29.762 0.108 0.000 1.486 544 H HN 0.122 nan 8.280 nan 0.000 0.544 545 M N 0.680 120.356 119.600 0.127 0.000 2.260 545 M HA -0.173 4.014 4.480 -0.488 0.000 0.261 545 M C 1.040 177.392 176.300 0.087 0.000 1.066 545 M CA 1.335 56.647 55.300 0.020 0.000 1.082 545 M CB -0.433 32.103 32.600 -0.107 0.000 1.388 545 M HN 0.587 nan 8.290 nan 0.000 0.419 546 D N -0.091 120.366 120.400 0.096 0.000 2.084 546 D HA -0.096 4.251 4.640 -0.488 0.000 0.194 546 D C 2.055 178.420 176.300 0.109 0.000 0.990 546 D CA 1.831 55.877 54.000 0.077 0.000 0.826 546 D CB -0.435 40.393 40.800 0.047 0.000 0.971 546 D HN 0.440 nan 8.370 nan 0.000 0.453 547 G N -0.506 108.378 108.800 0.140 0.000 2.418 547 G HA2 -0.288 3.379 3.960 -0.488 0.000 0.217 547 G HA3 -0.288 3.379 3.960 -0.488 0.000 0.217 547 G C 1.543 176.540 174.900 0.161 0.000 1.158 547 G CA 0.327 45.510 45.100 0.138 0.000 0.771 547 G HN 0.293 nan 8.290 nan 0.000 0.545 548 F N 2.130 122.099 119.950 0.030 0.000 2.126 548 F HA -0.063 4.171 4.527 -0.488 0.000 0.299 548 F C 2.901 178.705 175.800 0.008 0.000 1.096 548 F CA 1.398 59.398 58.000 -0.000 0.000 1.255 548 F CB -0.005 38.964 39.000 -0.052 0.000 0.997 548 F HN 0.259 nan 8.300 nan 0.000 0.479 549 A N 0.466 123.471 122.820 0.308 0.000 1.842 549 A HA -0.282 3.745 4.320 -0.488 0.000 0.217 549 A C 1.955 179.645 177.584 0.177 0.000 1.206 549 A CA 2.152 54.310 52.037 0.203 0.000 0.630 549 A CB -1.291 17.770 19.000 0.101 0.000 0.839 549 A HN 0.452 nan 8.150 nan 0.000 0.447 550 D N -0.253 120.218 120.400 0.118 0.000 2.191 550 D HA -0.207 4.140 4.640 -0.488 0.000 0.195 550 D C 1.559 177.895 176.300 0.061 0.000 1.003 550 D CA 1.835 55.885 54.000 0.082 0.000 0.867 550 D CB -0.513 40.324 40.800 0.062 0.000 0.926 550 D HN 0.568 nan 8.370 nan 0.000 0.450 551 D N -0.729 119.695 120.400 0.041 0.000 2.078 551 D HA -0.152 4.195 4.640 -0.488 0.000 0.193 551 D C 1.890 178.184 176.300 -0.010 0.000 0.990 551 D CA 0.598 54.582 54.000 -0.027 0.000 0.827 551 D CB -0.388 40.332 40.800 -0.133 0.000 0.975 551 D HN 0.124 nan 8.370 nan 0.000 0.451 552 F N 0.942 120.802 119.950 -0.150 0.000 2.026 552 F HA -0.032 4.202 4.527 -0.488 0.000 0.296 552 F C 2.353 178.111 175.800 -0.069 0.000 1.133 552 F CA 2.451 60.362 58.000 -0.149 0.000 1.188 552 F CB -0.844 38.106 39.000 -0.083 0.000 0.968 552 F HN 0.058 nan 8.300 nan 0.000 0.476 553 G N -0.357 108.538 108.800 0.159 0.000 2.547 553 G HA2 -0.350 3.318 3.960 -0.488 0.000 0.221 553 G HA3 -0.350 3.318 3.960 -0.488 0.000 0.221 553 G C 1.746 176.643 174.900 -0.005 0.000 1.140 553 G CA 1.206 46.344 45.100 0.064 0.000 0.760 553 G HN 0.683 nan 8.290 nan 0.000 0.583 554 A N 0.488 123.308 122.820 0.000 0.000 1.873 554 A HA 0.128 4.156 4.320 -0.488 0.000 0.215 554 A C 2.400 179.952 177.584 -0.053 0.000 1.186 554 A CA 1.478 53.511 52.037 -0.006 0.000 0.616 554 A CB -0.472 18.530 19.000 0.003 0.000 0.823 554 A HN 0.543 nan 8.150 nan 0.000 0.442 555 L N -0.608 120.549 121.223 -0.111 0.000 2.131 555 L HA -0.131 3.917 4.340 -0.488 0.000 0.210 555 L C 2.267 179.016 176.870 -0.203 0.000 1.092 555 L CA 1.243 55.988 54.840 -0.159 0.000 0.759 555 L CB -0.206 41.732 42.059 -0.201 0.000 0.903 555 L HN 0.412 nan 8.230 nan 0.000 0.435 556 L N -0.453 120.614 121.223 -0.259 0.000 1.994 556 L HA -0.248 3.799 4.340 -0.488 0.000 0.208 556 L C 2.710 179.503 176.870 -0.128 0.000 1.071 556 L CA 1.609 56.305 54.840 -0.240 0.000 0.745 556 L CB -0.494 41.400 42.059 -0.275 0.000 0.892 556 L HN 0.365 nan 8.230 nan 0.000 0.431 557 Q N -0.660 119.114 119.800 -0.043 0.000 2.181 557 Q HA -0.209 3.838 4.340 -0.488 0.000 0.205 557 Q C 2.291 178.368 176.000 0.129 0.000 0.980 557 Q CA 1.506 57.369 55.803 0.100 0.000 0.862 557 Q CB -0.168 28.694 28.738 0.206 0.000 0.905 557 Q HN 0.570 nan 8.270 nan 0.000 0.429 558 A N 0.650 123.489 122.820 0.031 0.000 1.855 558 A HA -0.176 3.852 4.320 -0.488 0.000 0.215 558 A C 1.990 179.575 177.584 0.001 0.000 1.191 558 A CA 1.120 53.167 52.037 0.017 0.000 0.613 558 A CB -0.724 18.259 19.000 -0.029 0.000 0.829 558 A HN 0.365 nan 8.150 nan 0.000 0.442 559 L N 0.042 121.220 121.223 -0.074 0.000 2.043 559 L HA -0.166 3.882 4.340 -0.488 0.000 0.212 559 L C 2.671 179.553 176.870 0.019 0.000 1.075 559 L CA 2.350 57.122 54.840 -0.112 0.000 0.752 559 L CB -0.876 41.023 42.059 -0.267 0.000 0.891 559 L HN 0.378 nan 8.230 nan 0.000 0.432 560 A N -0.616 122.216 122.820 0.019 0.000 1.908 560 A HA -0.249 3.778 4.320 -0.488 0.000 0.218 560 A C 2.429 180.177 177.584 0.272 0.000 1.181 560 A CA 1.950 54.037 52.037 0.083 0.000 0.627 560 A CB -0.551 18.406 19.000 -0.072 0.000 0.818 560 A HN 0.509 nan 8.150 nan 0.000 0.445 561 R N -1.116 119.547 120.500 0.271 0.000 2.096 561 R HA -0.072 3.975 4.340 -0.488 0.000 0.235 561 R C 2.503 178.876 176.300 0.121 0.000 1.127 561 R CA 1.327 57.555 56.100 0.213 0.000 0.968 561 R CB -0.300 30.083 30.300 0.139 0.000 0.861 561 R HN 0.512 nan 8.270 nan 0.000 0.440 562 R N 0.165 120.711 120.500 0.078 0.000 2.096 562 R HA -0.137 3.911 4.340 -0.488 0.000 0.235 562 R C 0.947 177.212 176.300 -0.058 0.000 1.127 562 R CA 1.395 57.490 56.100 -0.007 0.000 0.968 562 R CB -0.066 30.213 30.300 -0.036 0.000 0.861 562 R HN 0.438 nan 8.270 nan 0.000 0.440 563 H N -1.265 117.846 119.070 0.068 0.000 2.524 563 H HA 0.118 4.382 4.556 -0.487 0.000 0.280 563 H C 0.473 175.857 175.328 0.094 0.000 1.018 563 H CA 0.795 56.889 56.048 0.077 0.000 1.165 563 H CB 0.669 30.474 29.762 0.071 0.000 1.411 563 H HN 0.554 nan 8.280 nan 0.000 0.569 564 G N 0.997 109.903 108.800 0.177 0.000 2.164 564 G HA2 -0.227 3.440 3.960 -0.488 0.000 0.212 564 G HA3 -0.227 3.440 3.960 -0.488 0.000 0.212 564 G C -0.422 174.604 174.900 0.211 0.000 1.031 564 G CA -0.130 45.055 45.100 0.142 0.000 0.730 564 G HN 0.364 nan 8.290 nan 0.000 0.501 565 W N 0.740 122.064 121.300 0.041 0.000 2.316 565 W HA 0.658 5.026 4.660 -0.487 0.000 0.311 565 W C 0.639 177.170 176.519 0.019 0.000 1.217 565 W CA -0.930 56.433 57.345 0.030 0.000 1.199 565 W CB 0.493 29.972 29.460 0.032 0.000 1.202 565 W HN 0.073 nan 8.180 nan 0.000 0.528 566 L N 8.037 129.006 121.223 -0.424 0.000 2.848 566 L HA 0.358 4.405 4.340 -0.488 0.000 0.240 566 L C 1.438 177.797 176.870 -0.852 0.000 1.232 566 L CA 0.267 54.822 54.840 -0.475 0.000 1.031 566 L CB -0.946 40.967 42.059 -0.243 0.000 1.338 566 L HN 0.895 nan 8.230 nan 0.000 0.509 567 G N 0.701 108.355 108.800 -1.910 0.000 2.531 567 G HA2 -0.305 3.362 3.960 -0.488 0.000 0.274 567 G HA3 -0.305 3.362 3.960 -0.488 0.000 0.274 567 G C 0.364 174.640 174.900 -1.039 0.000 1.159 567 G CA -0.122 43.748 45.100 -2.050 0.000 0.969 567 G HN 0.248 nan 8.290 nan 0.000 0.554 568 I N 0.000 120.292 120.570 -0.464 0.000 2.984 568 I HA 0.000 3.877 4.170 -0.488 0.000 0.288 568 I CA 0.000 61.200 61.300 -0.167 0.000 1.566 568 I CB 0.000 37.910 38.000 -0.151 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494