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 2ong_1_A DATA FIRST_RESID 57 DATA SEQUENCE MRRSGNYNPS RWDVNFIQSL LSDYKEDKHV IRASELVTLV KMELEKETDQ DATA SEQUENCE IRQLELIDDL QRMGLSDHFQ NEFKEILSSI YLDHHYYKNP FPKEERDLYS DATA SEQUENCE TSLAFRLLRE HGFQVAQEVF DSFKNEEGEF KESLSDDTRG LLQLYEASFL DATA SEQUENCE LTEGETTLES AREFATKFLE EKVNEGGVDG DLLTRIAYSL DIPLHWRIKR DATA SEQUENCE PNAPVWIEWY RKRPDMNPVV LELAILDLNI VQAQFQEELK ESFRWWRNTG DATA SEQUENCE FVEKLPFARD RLVECYFWNT GIIEPRQHAS ARIMMGKVNA LITVIDDIYD DATA SEQUENCE VYGTLEELEQ FTDLIRRWDI NSIDQLPDYM QLCFLALNNF VDDTSYDVMK DATA SEQUENCE EKGVNVIPYL RQSWVDLADK YMVEARWFYG GHKPSLEEYL ENSWQSISGP DATA SEQUENCE CMLTHIFFRV TDSFTKETVD SLYKYHDLVR WSSFVLRLAD DLGTSVEEVS DATA SEQUENCE RGDVPKSLQC YMSDYNASEA EARKHVKWLI AEVWKKMNAE RVSKDSPFGK DATA SEQUENCE DFIGCAVDLG RMAQLMYHNG DGHGTQHPII HQQMTRTLFE PFA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 57 M C 0.000 176.214 176.300 -0.143 0.000 1.140 57 M CA 0.000 55.249 55.300 -0.085 0.000 0.988 57 M CB 0.000 32.554 32.600 -0.076 0.000 1.302 58 R N 1.240 121.644 120.500 -0.159 0.000 2.663 58 R HA 0.681 5.020 4.340 -0.001 0.000 0.267 58 R C -1.296 174.917 176.300 -0.145 0.000 1.038 58 R CA -0.296 55.638 56.100 -0.277 0.000 0.886 58 R CB 1.939 31.973 30.300 -0.445 0.000 1.249 58 R HN 0.160 nan 8.270 nan 0.000 0.463 59 R N 0.509 120.933 120.500 -0.126 0.000 2.944 59 R HA 0.824 5.163 4.340 -0.001 0.000 0.233 59 R C -0.882 175.455 176.300 0.062 0.000 1.346 59 R CA -1.211 54.881 56.100 -0.014 0.000 1.082 59 R CB 1.692 32.001 30.300 0.015 0.000 1.434 59 R HN 0.414 nan 8.270 nan 0.000 0.510 60 S N -1.076 114.663 115.700 0.065 0.000 2.288 60 S HA 0.184 4.653 4.470 -0.001 0.000 0.258 60 S C 0.271 174.845 174.600 -0.044 0.000 0.919 60 S CA -0.210 58.055 58.200 0.109 0.000 1.010 60 S CB 0.723 64.021 63.200 0.162 0.000 1.231 60 S HN 0.874 nan 8.310 nan 0.000 0.403 61 G N 3.077 111.775 108.800 -0.170 0.000 2.736 61 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.206 61 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.206 61 G C 0.552 175.085 174.900 -0.611 0.000 1.158 61 G CA 0.598 45.438 45.100 -0.434 0.000 0.801 61 G HN 1.261 nan 8.290 nan 0.000 0.528 62 N N -1.152 117.331 118.700 -0.362 0.000 2.629 62 N HA -0.202 4.538 4.740 -0.001 0.000 0.278 62 N C -0.701 174.683 175.510 -0.211 0.000 1.102 62 N CA 0.286 53.220 53.050 -0.193 0.000 0.759 62 N CB -1.173 37.257 38.487 -0.094 0.000 0.911 62 N HN 0.476 nan 8.380 nan 0.000 0.553 63 Y N 0.697 121.049 120.300 0.086 0.000 2.352 63 Y HA 0.383 4.933 4.550 -0.001 0.000 0.326 63 Y C 1.274 177.226 175.900 0.087 0.000 1.166 63 Y CA -0.858 57.292 58.100 0.085 0.000 1.182 63 Y CB 0.860 39.385 38.460 0.108 0.000 1.216 63 Y HN 0.345 nan 8.280 nan 0.000 0.474 64 N N 2.140 120.981 118.700 0.235 0.000 2.366 64 N HA 0.450 5.190 4.740 -0.001 0.000 0.277 64 N C -2.752 172.883 175.510 0.207 0.000 1.275 64 N CA -1.406 51.751 53.050 0.178 0.000 0.964 64 N CB -0.158 38.415 38.487 0.144 0.000 1.167 64 N HN 0.327 nan 8.380 nan 0.000 0.568 65 P HA 0.124 nan 4.420 nan 0.000 0.284 65 P C -0.788 176.626 177.300 0.188 0.000 1.258 65 P CA -0.549 62.656 63.100 0.176 0.000 0.824 65 P CB 0.968 32.748 31.700 0.133 0.000 1.038 66 S N 1.321 117.155 115.700 0.223 0.000 2.555 66 S HA -0.039 4.430 4.470 -0.001 0.000 0.293 66 S C 1.280 175.929 174.600 0.081 0.000 1.248 66 S CA -0.328 58.016 58.200 0.240 0.000 1.096 66 S CB -0.219 63.178 63.200 0.329 0.000 0.881 66 S HN 0.288 nan 8.310 nan 0.000 0.498 67 R N 4.050 124.435 120.500 -0.192 0.000 2.377 67 R HA -0.012 4.327 4.340 -0.001 0.000 0.207 67 R C -0.175 175.775 176.300 -0.583 0.000 1.075 67 R CA 0.519 56.317 56.100 -0.502 0.000 1.035 67 R CB -0.028 29.739 30.300 -0.888 0.000 0.857 67 R HN 0.604 nan 8.270 nan 0.000 0.475 68 W N 3.054 124.355 121.300 0.001 0.000 2.318 68 W HA 0.150 4.810 4.660 -0.001 0.000 0.315 68 W C -0.425 176.077 176.519 -0.029 0.000 1.033 68 W CA -1.916 55.374 57.345 -0.092 0.000 1.275 68 W CB 0.799 30.079 29.460 -0.301 0.000 1.250 68 W HN 0.031 nan 8.180 nan 0.000 0.421 69 D N 0.040 120.567 120.400 0.211 0.000 2.344 69 D HA 0.192 4.831 4.640 -0.001 0.000 0.244 69 D C 1.025 177.472 176.300 0.245 0.000 1.134 69 D CA -0.417 53.717 54.000 0.223 0.000 0.930 69 D CB 1.291 42.200 40.800 0.182 0.000 1.175 69 D HN 0.070 nan 8.370 nan 0.000 0.437 70 V N 1.650 121.775 119.914 0.351 0.000 2.220 70 V HA -0.366 3.754 4.120 -0.001 0.000 0.250 70 V C 2.247 178.531 176.094 0.317 0.000 1.053 70 V CA 2.270 64.864 62.300 0.491 0.000 1.019 70 V CB -1.274 30.763 31.823 0.356 0.000 0.646 70 V HN 0.817 nan 8.190 nan 0.000 0.455 71 N N -0.678 118.157 118.700 0.225 0.000 2.484 71 N HA -0.226 4.514 4.740 -0.001 0.000 0.193 71 N C 1.610 177.235 175.510 0.192 0.000 1.033 71 N CA 1.830 54.981 53.050 0.169 0.000 0.906 71 N CB -0.107 38.444 38.487 0.107 0.000 0.947 71 N HN 0.742 nan 8.380 nan 0.000 0.448 72 F N 0.256 120.203 119.950 -0.004 0.000 2.315 72 F HA 0.002 4.529 4.527 -0.001 0.000 0.284 72 F C 1.871 177.585 175.800 -0.143 0.000 1.049 72 F CA -0.075 57.873 58.000 -0.086 0.000 1.323 72 F CB 0.093 39.028 39.000 -0.109 0.000 1.113 72 F HN -0.120 nan 8.300 nan 0.000 0.544 73 I N 1.705 122.247 120.570 -0.045 0.000 2.657 73 I HA -0.239 3.930 4.170 -0.001 0.000 0.261 73 I C 1.979 178.099 176.117 0.006 0.000 1.212 73 I CA 1.099 62.217 61.300 -0.302 0.000 1.453 73 I CB -1.537 35.879 38.000 -0.974 0.000 1.092 73 I HN 0.450 nan 8.210 nan 0.000 0.452 74 Q N 0.335 120.227 119.800 0.153 0.000 2.259 74 Q HA 0.006 4.346 4.340 -0.001 0.000 0.201 74 Q C 2.248 178.327 176.000 0.131 0.000 0.938 74 Q CA 1.249 57.157 55.803 0.175 0.000 0.872 74 Q CB -0.619 28.233 28.738 0.191 0.000 0.971 74 Q HN 0.577 nan 8.270 nan 0.000 0.494 75 S N 2.454 118.234 115.700 0.133 0.000 2.365 75 S HA -0.186 4.284 4.470 -0.001 0.000 0.221 75 S C 1.279 175.940 174.600 0.102 0.000 1.037 75 S CA 0.415 58.671 58.200 0.093 0.000 1.060 75 S CB -0.910 62.320 63.200 0.050 0.000 0.974 75 S HN 0.297 nan 8.310 nan 0.000 0.427 76 L N 2.000 123.314 121.223 0.152 0.000 5.274 76 L HA -0.045 4.294 4.340 -0.001 0.000 0.482 76 L C -0.263 176.674 176.870 0.112 0.000 1.244 76 L CA 0.412 55.344 54.840 0.154 0.000 0.565 76 L CB -1.423 40.715 42.059 0.132 0.000 1.334 76 L HN 0.508 nan 8.230 nan 0.000 0.635 77 L N 1.794 123.069 121.223 0.088 0.000 2.314 77 L HA 0.264 4.603 4.340 -0.001 0.000 0.275 77 L C 1.316 178.231 176.870 0.074 0.000 1.068 77 L CA 0.131 55.014 54.840 0.072 0.000 0.894 77 L CB 0.191 42.280 42.059 0.051 0.000 1.275 77 L HN 0.602 nan 8.230 nan 0.000 0.432 78 S N 3.317 119.071 115.700 0.091 0.000 4.268 78 S HA -0.168 4.301 4.470 -0.001 0.000 0.310 78 S C 0.763 175.404 174.600 0.067 0.000 1.743 78 S CA 1.218 59.479 58.200 0.101 0.000 1.555 78 S CB 0.245 63.507 63.200 0.104 0.000 0.483 78 S HN 0.769 nan 8.310 nan 0.000 0.255 79 D N -3.139 117.298 120.400 0.061 0.000 1.555 79 D HA -0.025 4.614 4.640 -0.001 0.000 0.725 79 D C 0.288 176.501 176.300 -0.145 0.000 0.683 79 D CA 0.006 53.969 54.000 -0.062 0.000 1.214 79 D CB -0.747 39.955 40.800 -0.164 0.000 1.335 79 D HN 0.512 nan 8.370 nan 0.000 0.468 80 Y N 1.718 121.955 120.300 -0.105 0.000 2.645 80 Y HA 0.273 4.822 4.550 -0.001 0.000 0.307 80 Y C 0.899 176.803 175.900 0.007 0.000 1.151 80 Y CA -0.222 57.702 58.100 -0.294 0.000 1.291 80 Y CB 0.497 38.688 38.460 -0.448 0.000 1.135 80 Y HN -0.088 nan 8.280 nan 0.000 0.523 81 K N 0.028 120.522 120.400 0.156 0.000 2.555 81 K HA -0.062 4.257 4.320 -0.001 0.000 0.193 81 K C 0.107 176.795 176.600 0.147 0.000 1.032 81 K CA 0.351 56.717 56.287 0.131 0.000 1.004 81 K CB -0.157 32.398 32.500 0.092 0.000 0.804 81 K HN 0.237 nan 8.250 nan 0.000 0.496 82 E N 1.184 121.520 120.200 0.227 0.000 2.234 82 E HA 0.098 4.447 4.350 -0.001 0.000 0.266 82 E C -0.583 176.105 176.600 0.145 0.000 0.877 82 E CA -0.413 56.083 56.400 0.159 0.000 0.758 82 E CB 1.331 31.083 29.700 0.087 0.000 1.170 82 E HN 0.074 nan 8.360 nan 0.000 0.415 83 D N 4.896 125.343 120.400 0.080 0.000 4.769 83 D HA -0.486 4.154 4.640 -0.001 0.000 0.434 83 D C 1.391 177.685 176.300 -0.010 0.000 1.471 83 D CA 3.273 57.295 54.000 0.038 0.000 1.222 83 D CB -0.914 39.892 40.800 0.010 0.000 0.703 83 D HN 0.762 nan 8.370 nan 0.000 0.751 84 K N -0.063 120.270 120.400 -0.113 0.000 2.184 84 K HA -0.363 3.957 4.320 -0.001 0.000 0.210 84 K C 2.091 178.571 176.600 -0.201 0.000 1.048 84 K CA 2.085 58.256 56.287 -0.195 0.000 0.931 84 K CB -0.733 31.584 32.500 -0.306 0.000 0.718 84 K HN 0.469 nan 8.250 nan 0.000 0.465 85 H N 0.545 119.655 119.070 0.067 0.000 2.256 85 H HA -0.058 4.498 4.556 -0.001 0.000 0.299 85 H C 2.417 177.779 175.328 0.058 0.000 1.071 85 H CA 1.717 57.826 56.048 0.102 0.000 1.280 85 H CB -0.627 29.249 29.762 0.189 0.000 1.370 85 H HN 0.061 nan 8.280 nan 0.000 0.490 86 V N 2.038 122.063 119.914 0.184 0.000 2.568 86 V HA -0.208 3.912 4.120 -0.001 0.000 0.253 86 V C 2.503 178.618 176.094 0.035 0.000 1.072 86 V CA 1.046 63.397 62.300 0.085 0.000 1.084 86 V CB -0.510 31.353 31.823 0.067 0.000 0.676 86 V HN 0.276 nan 8.190 nan 0.000 0.469 87 I N 0.036 120.620 120.570 0.024 0.000 2.163 87 I HA -0.207 3.962 4.170 -0.001 0.000 0.240 87 I C 2.568 178.687 176.117 0.003 0.000 1.081 87 I CA 1.830 63.131 61.300 0.002 0.000 1.353 87 I CB -1.445 36.549 38.000 -0.010 0.000 1.054 87 I HN 0.318 nan 8.210 nan 0.000 0.407 88 R N 2.000 122.511 120.500 0.019 0.000 2.094 88 R HA -0.166 4.174 4.340 -0.001 0.000 0.239 88 R C 2.401 178.711 176.300 0.017 0.000 1.137 88 R CA 2.207 58.324 56.100 0.028 0.000 0.943 88 R CB -0.865 29.473 30.300 0.064 0.000 0.850 88 R HN 0.318 nan 8.270 nan 0.000 0.433 89 A N -0.080 122.756 122.820 0.026 0.000 1.881 89 A HA -0.243 4.077 4.320 -0.001 0.000 0.219 89 A C 2.243 179.762 177.584 -0.108 0.000 1.215 89 A CA 2.478 54.496 52.037 -0.031 0.000 0.648 89 A CB -1.214 17.773 19.000 -0.022 0.000 0.832 89 A HN 0.523 nan 8.150 nan 0.000 0.455 90 S N -0.289 115.353 115.700 -0.097 0.000 2.584 90 S HA -0.063 4.407 4.470 -0.001 0.000 0.240 90 S C 1.328 175.876 174.600 -0.086 0.000 0.975 90 S CA 1.084 59.209 58.200 -0.125 0.000 0.949 90 S CB -0.210 62.950 63.200 -0.066 0.000 0.761 90 S HN 0.686 nan 8.310 nan 0.000 0.536 91 E N 0.032 120.201 120.200 -0.052 0.000 2.460 91 E HA 0.147 4.496 4.350 -0.001 0.000 0.200 91 E C 1.093 177.685 176.600 -0.013 0.000 1.011 91 E CA 0.189 56.575 56.400 -0.024 0.000 0.912 91 E CB 0.166 29.862 29.700 -0.006 0.000 0.953 91 E HN 0.424 nan 8.360 nan 0.000 0.494 92 L N -0.238 120.971 121.223 -0.024 0.000 2.357 92 L HA 0.030 4.370 4.340 -0.001 0.000 0.211 92 L C 2.212 179.094 176.870 0.021 0.000 1.075 92 L CA 0.197 55.043 54.840 0.011 0.000 0.830 92 L CB -0.334 41.737 42.059 0.020 0.000 0.996 92 L HN -0.045 nan 8.230 nan 0.000 0.467 93 V N 0.772 120.642 119.914 -0.073 0.000 2.363 93 V HA -0.375 3.745 4.120 -0.001 0.000 0.254 93 V C 2.598 178.713 176.094 0.035 0.000 1.074 93 V CA 2.918 65.136 62.300 -0.136 0.000 1.069 93 V CB -0.443 31.129 31.823 -0.418 0.000 0.659 93 V HN 0.788 nan 8.190 nan 0.000 0.455 94 T N -1.621 112.941 114.554 0.013 0.000 2.851 94 T HA -0.052 4.298 4.350 -0.001 0.000 0.262 94 T C 1.814 176.559 174.700 0.075 0.000 1.043 94 T CA 1.551 63.677 62.100 0.042 0.000 1.140 94 T CB -0.459 68.418 68.868 0.014 0.000 0.872 94 T HN 0.483 nan 8.240 nan 0.000 0.446 95 L N 1.085 122.348 121.223 0.067 0.000 1.994 95 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 95 L C 2.902 179.830 176.870 0.097 0.000 1.071 95 L CA 0.947 55.830 54.840 0.070 0.000 0.745 95 L CB -1.208 40.887 42.059 0.060 0.000 0.892 95 L HN 0.107 nan 8.230 nan 0.000 0.431 96 V N 0.121 120.113 119.914 0.129 0.000 2.392 96 V HA -0.288 3.832 4.120 -0.001 0.000 0.249 96 V C 2.618 178.816 176.094 0.173 0.000 1.059 96 V CA 1.797 64.179 62.300 0.136 0.000 1.051 96 V CB -0.640 31.287 31.823 0.173 0.000 0.658 96 V HN 0.383 nan 8.190 nan 0.000 0.455 97 K N -0.064 120.513 120.400 0.296 0.000 2.032 97 K HA -0.174 4.145 4.320 -0.001 0.000 0.209 97 K C 2.092 178.786 176.600 0.156 0.000 1.048 97 K CA 1.923 58.391 56.287 0.301 0.000 0.927 97 K CB -0.218 32.422 32.500 0.234 0.000 0.712 97 K HN 0.459 nan 8.250 nan 0.000 0.441 98 M N 0.225 119.893 119.600 0.114 0.000 2.509 98 M HA 0.008 4.487 4.480 -0.001 0.000 0.250 98 M C 0.656 176.997 176.300 0.069 0.000 1.132 98 M CA 1.504 56.854 55.300 0.084 0.000 1.080 98 M CB 0.053 32.693 32.600 0.067 0.000 1.408 98 M HN 0.038 nan 8.290 nan 0.000 0.484 99 E N 1.030 121.271 120.200 0.068 0.000 2.204 99 E HA -0.158 4.191 4.350 -0.001 0.000 0.195 99 E C 1.931 178.562 176.600 0.052 0.000 0.990 99 E CA 1.045 57.479 56.400 0.056 0.000 0.821 99 E CB -0.249 29.485 29.700 0.056 0.000 0.750 99 E HN 0.471 nan 8.360 nan 0.000 0.477 100 L N 1.457 122.711 121.223 0.052 0.000 1.938 100 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 100 L C 2.192 179.101 176.870 0.065 0.000 1.085 100 L CA 1.626 56.495 54.840 0.049 0.000 0.760 100 L CB -0.268 41.818 42.059 0.046 0.000 0.888 100 L HN -0.138 nan 8.230 nan 0.000 0.433 101 E N -0.404 119.844 120.200 0.079 0.000 2.448 101 E HA -0.212 4.137 4.350 -0.001 0.000 0.203 101 E C 1.818 178.453 176.600 0.059 0.000 1.046 101 E CA 0.697 57.141 56.400 0.073 0.000 0.871 101 E CB -0.043 29.703 29.700 0.077 0.000 0.790 101 E HN 0.167 nan 8.360 nan 0.000 0.545 102 K N 0.298 120.732 120.400 0.055 0.000 2.128 102 K HA 0.048 4.368 4.320 -0.001 0.000 0.202 102 K C 0.536 177.163 176.600 0.045 0.000 1.050 102 K CA 0.257 56.572 56.287 0.047 0.000 0.966 102 K CB -0.221 32.306 32.500 0.045 0.000 0.759 102 K HN 0.047 nan 8.250 nan 0.000 0.454 103 E N -0.056 120.173 120.200 0.048 0.000 2.485 103 E HA -0.107 4.242 4.350 -0.001 0.000 0.266 103 E C 0.593 177.221 176.600 0.047 0.000 1.090 103 E CA 1.224 57.653 56.400 0.047 0.000 0.987 103 E CB 0.604 30.334 29.700 0.051 0.000 0.974 103 E HN 0.293 nan 8.360 nan 0.000 0.455 104 T N -0.844 113.737 114.554 0.046 0.000 2.969 104 T HA 0.126 4.475 4.350 -0.001 0.000 0.258 104 T C 0.104 174.836 174.700 0.053 0.000 0.962 104 T CA 0.028 62.154 62.100 0.044 0.000 0.903 104 T CB -0.000 68.889 68.868 0.035 0.000 1.177 104 T HN 0.366 nan 8.240 nan 0.000 0.511 105 D N 1.955 122.390 120.400 0.058 0.000 2.338 105 D HA 0.211 4.850 4.640 -0.001 0.000 0.255 105 D C 1.153 177.504 176.300 0.086 0.000 1.237 105 D CA 0.095 54.137 54.000 0.071 0.000 0.883 105 D CB 1.331 42.173 40.800 0.071 0.000 1.087 105 D HN 0.298 nan 8.370 nan 0.000 0.485 106 Q N 2.479 122.341 119.800 0.104 0.000 2.061 106 Q HA -0.164 4.176 4.340 -0.001 0.000 0.204 106 Q C 1.636 177.711 176.000 0.126 0.000 0.984 106 Q CA 1.103 56.981 55.803 0.126 0.000 0.846 106 Q CB 0.070 28.920 28.738 0.186 0.000 0.902 106 Q HN 0.557 nan 8.270 nan 0.000 0.421 107 I N 0.129 120.783 120.570 0.141 0.000 2.567 107 I HA -0.213 3.956 4.170 -0.001 0.000 0.257 107 I C 2.220 178.414 176.117 0.129 0.000 1.184 107 I CA 1.164 62.549 61.300 0.141 0.000 1.451 107 I CB -0.372 37.740 38.000 0.186 0.000 1.089 107 I HN 0.066 nan 8.210 nan 0.000 0.441 108 R N 0.420 120.987 120.500 0.110 0.000 2.062 108 R HA -0.133 4.206 4.340 -0.001 0.000 0.229 108 R C 2.209 178.556 176.300 0.078 0.000 1.128 108 R CA 1.361 57.519 56.100 0.097 0.000 0.960 108 R CB -0.225 30.122 30.300 0.079 0.000 0.855 108 R HN 0.390 nan 8.270 nan 0.000 0.432 109 Q N 0.208 120.048 119.800 0.067 0.000 2.077 109 Q HA -0.213 4.126 4.340 -0.001 0.000 0.206 109 Q C 2.202 178.210 176.000 0.014 0.000 0.989 109 Q CA 1.962 57.792 55.803 0.044 0.000 0.853 109 Q CB -0.305 28.463 28.738 0.051 0.000 0.907 109 Q HN 0.378 nan 8.270 nan 0.000 0.418 110 L N 0.638 121.875 121.223 0.024 0.000 2.043 110 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 110 L C 2.281 179.147 176.870 -0.005 0.000 1.075 110 L CA 1.426 56.257 54.840 -0.015 0.000 0.752 110 L CB -0.480 41.582 42.059 0.005 0.000 0.891 110 L HN 0.305 nan 8.230 nan 0.000 0.432 111 E N -0.286 119.950 120.200 0.059 0.000 2.072 111 E HA -0.210 4.140 4.350 -0.001 0.000 0.191 111 E C 2.247 178.904 176.600 0.095 0.000 0.985 111 E CA 0.768 57.232 56.400 0.108 0.000 0.801 111 E CB -0.049 29.745 29.700 0.157 0.000 0.750 111 E HN 0.332 nan 8.360 nan 0.000 0.452 112 L N 1.082 122.345 121.223 0.066 0.000 2.217 112 L HA -0.105 4.235 4.340 -0.001 0.000 0.211 112 L C 2.135 178.990 176.870 -0.025 0.000 1.107 112 L CA 1.078 55.952 54.840 0.056 0.000 0.783 112 L CB -0.317 41.764 42.059 0.037 0.000 0.919 112 L HN 0.226 nan 8.230 nan 0.000 0.442 113 I N -0.050 120.454 120.570 -0.110 0.000 2.142 113 I HA -0.338 3.832 4.170 -0.001 0.000 0.240 113 I C 2.194 178.130 176.117 -0.303 0.000 1.078 113 I CA 1.617 62.708 61.300 -0.348 0.000 1.343 113 I CB -0.214 37.475 38.000 -0.518 0.000 1.046 113 I HN 0.228 nan 8.210 nan 0.000 0.405 114 D N 0.801 121.105 120.400 -0.160 0.000 2.158 114 D HA -0.239 4.400 4.640 -0.001 0.000 0.197 114 D C 1.766 178.045 176.300 -0.035 0.000 0.995 114 D CA 1.444 55.393 54.000 -0.086 0.000 0.846 114 D CB -0.086 40.722 40.800 0.014 0.000 0.941 114 D HN 0.229 nan 8.370 nan 0.000 0.456 115 D N -0.607 119.844 120.400 0.085 0.000 2.103 115 D HA -0.064 4.575 4.640 -0.001 0.000 0.199 115 D C 2.318 178.648 176.300 0.050 0.000 0.978 115 D CA 0.367 54.486 54.000 0.198 0.000 0.829 115 D CB -0.287 40.709 40.800 0.327 0.000 0.981 115 D HN 0.262 nan 8.370 nan 0.000 0.464 116 L N 0.708 121.951 121.223 0.033 0.000 2.079 116 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 116 L C 2.505 179.462 176.870 0.144 0.000 1.081 116 L CA 1.164 56.048 54.840 0.074 0.000 0.752 116 L CB -0.287 41.824 42.059 0.086 0.000 0.896 116 L HN 0.105 nan 8.230 nan 0.000 0.433 117 Q N -0.651 119.202 119.800 0.088 0.000 2.123 117 Q HA -0.121 4.218 4.340 -0.001 0.000 0.199 117 Q C 1.988 177.919 176.000 -0.114 0.000 0.966 117 Q CA 0.766 56.610 55.803 0.068 0.000 0.845 117 Q CB 0.003 28.747 28.738 0.009 0.000 0.907 117 Q HN 0.322 nan 8.270 nan 0.000 0.439 118 R N 0.133 120.433 120.500 -0.332 0.000 2.339 118 R HA 0.054 4.393 4.340 -0.001 0.000 0.199 118 R C 1.209 177.277 176.300 -0.386 0.000 1.018 118 R CA 0.705 56.422 56.100 -0.638 0.000 1.036 118 R CB -0.121 29.109 30.300 -1.783 0.000 0.899 118 R HN 0.395 nan 8.270 nan 0.000 0.473 119 M N -1.486 118.015 119.600 -0.164 0.000 2.412 119 M HA 0.258 4.738 4.480 -0.001 0.000 0.315 119 M C 0.559 176.831 176.300 -0.047 0.000 1.092 119 M CA 0.294 55.548 55.300 -0.075 0.000 0.974 119 M CB 1.058 33.640 32.600 -0.030 0.000 1.437 119 M HN 0.192 nan 8.290 nan 0.000 0.524 120 G N 1.305 110.092 108.800 -0.021 0.000 2.153 120 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.252 120 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.252 120 G C 0.422 175.357 174.900 0.058 0.000 0.994 120 G CA -0.079 45.022 45.100 0.002 0.000 0.698 120 G HN 0.362 nan 8.290 nan 0.000 0.521 121 L N 1.376 122.697 121.223 0.164 0.000 2.492 121 L HA 0.166 4.506 4.340 -0.001 0.000 0.223 121 L C 2.609 179.695 176.870 0.361 0.000 1.132 121 L CA 1.924 56.979 54.840 0.359 0.000 0.850 121 L CB -0.422 41.950 42.059 0.522 0.000 0.966 121 L HN 0.378 nan 8.230 nan 0.000 0.454 122 S N -0.719 115.134 115.700 0.255 0.000 2.444 122 S HA -0.266 4.204 4.470 -0.001 0.000 0.244 122 S C 1.515 176.055 174.600 -0.100 0.000 1.025 122 S CA 1.477 59.784 58.200 0.179 0.000 0.995 122 S CB -0.407 62.940 63.200 0.245 0.000 0.781 122 S HN 0.519 nan 8.310 nan 0.000 0.496 123 D N 0.600 120.862 120.400 -0.231 0.000 2.183 123 D HA -0.069 4.570 4.640 -0.001 0.000 0.203 123 D C 1.724 177.702 176.300 -0.537 0.000 0.969 123 D CA 0.966 54.714 54.000 -0.421 0.000 0.842 123 D CB -0.133 40.342 40.800 -0.542 0.000 0.957 123 D HN 0.541 nan 8.370 nan 0.000 0.484 124 H N 0.525 119.333 119.070 -0.437 0.000 2.260 124 H HA -0.048 4.508 4.556 -0.001 0.000 0.304 124 H C 1.541 176.506 175.328 -0.605 0.000 1.059 124 H CA 0.620 56.272 56.048 -0.662 0.000 1.305 124 H CB -0.913 28.126 29.762 -1.206 0.000 1.388 124 H HN 0.143 nan 8.280 nan 0.000 0.496 125 F N 2.550 122.382 119.950 -0.197 0.000 2.678 125 F HA -0.077 4.450 4.527 -0.001 0.000 0.298 125 F C 2.090 177.456 175.800 -0.725 0.000 1.337 125 F CA 0.137 57.869 58.000 -0.448 0.000 1.460 125 F CB -0.479 38.179 39.000 -0.569 0.000 1.106 125 F HN 0.080 nan 8.300 nan 0.000 0.562 126 Q N 0.504 120.104 119.800 -0.334 0.000 2.079 126 Q HA -0.102 4.238 4.340 -0.001 0.000 0.200 126 Q C 1.677 177.654 176.000 -0.038 0.000 0.974 126 Q CA 1.197 56.858 55.803 -0.236 0.000 0.840 126 Q CB -0.296 28.363 28.738 -0.132 0.000 0.898 126 Q HN 0.377 nan 8.270 nan 0.000 0.430 127 N N 0.527 119.221 118.700 -0.010 0.000 2.398 127 N HA -0.043 4.697 4.740 -0.001 0.000 0.188 127 N C 0.853 176.425 175.510 0.103 0.000 1.122 127 N CA 0.260 53.344 53.050 0.056 0.000 0.866 127 N CB 0.470 38.979 38.487 0.037 0.000 0.970 127 N HN 0.183 nan 8.380 nan 0.000 0.462 128 E N 0.103 120.372 120.200 0.116 0.000 2.057 128 E HA 0.159 4.508 4.350 -0.001 0.000 0.190 128 E C 1.549 178.328 176.600 0.297 0.000 0.969 128 E CA 0.366 56.879 56.400 0.188 0.000 0.812 128 E CB -0.549 29.287 29.700 0.227 0.000 0.777 128 E HN 0.262 nan 8.360 nan 0.000 0.455 129 F N 1.521 121.524 119.950 0.089 0.000 2.111 129 F HA -0.348 4.178 4.527 -0.001 0.000 0.300 129 F C 2.366 178.160 175.800 -0.009 0.000 1.088 129 F CA 1.121 59.121 58.000 0.000 0.000 1.243 129 F CB -0.063 38.941 39.000 0.007 0.000 0.996 129 F HN 0.070 nan 8.300 nan 0.000 0.483 130 K N 0.971 121.533 120.400 0.270 0.000 2.062 130 K HA -0.223 4.096 4.320 -0.001 0.000 0.205 130 K C 1.939 178.658 176.600 0.198 0.000 1.051 130 K CA 1.618 58.035 56.287 0.216 0.000 0.941 130 K CB -0.128 32.479 32.500 0.179 0.000 0.719 130 K HN 0.364 nan 8.250 nan 0.000 0.440 131 E N 0.771 121.068 120.200 0.162 0.000 2.031 131 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 131 E C 1.835 178.512 176.600 0.129 0.000 0.994 131 E CA 1.635 58.115 56.400 0.132 0.000 0.800 131 E CB -0.368 29.397 29.700 0.109 0.000 0.752 131 E HN 0.266 nan 8.360 nan 0.000 0.447 132 I N 1.035 121.684 120.570 0.132 0.000 2.127 132 I HA -0.280 3.890 4.170 -0.001 0.000 0.241 132 I C 2.477 178.657 176.117 0.105 0.000 1.075 132 I CA 1.383 62.748 61.300 0.108 0.000 1.334 132 I CB -0.352 37.706 38.000 0.096 0.000 1.040 132 I HN 0.206 nan 8.210 nan 0.000 0.405 133 L N -1.081 120.215 121.223 0.121 0.000 2.217 133 L HA -0.123 4.217 4.340 -0.001 0.000 0.211 133 L C 2.559 179.471 176.870 0.071 0.000 1.107 133 L CA 0.632 55.554 54.840 0.138 0.000 0.783 133 L CB -0.708 41.504 42.059 0.255 0.000 0.919 133 L HN 0.161 nan 8.230 nan 0.000 0.442 134 S N -0.130 115.662 115.700 0.153 0.000 2.354 134 S HA -0.204 4.266 4.470 -0.001 0.000 0.219 134 S C 2.213 176.844 174.600 0.051 0.000 1.035 134 S CA 1.814 60.062 58.200 0.081 0.000 1.037 134 S CB -0.122 63.176 63.200 0.163 0.000 0.956 134 S HN 0.407 nan 8.310 nan 0.000 0.428 135 S N 1.700 117.447 115.700 0.077 0.000 2.414 135 S HA -0.153 4.316 4.470 -0.001 0.000 0.225 135 S C 1.809 176.457 174.600 0.079 0.000 1.041 135 S CA 1.750 59.986 58.200 0.061 0.000 1.114 135 S CB -0.853 62.381 63.200 0.057 0.000 1.064 135 S HN 0.450 nan 8.310 nan 0.000 0.420 136 I N 0.400 121.045 120.570 0.125 0.000 2.182 136 I HA -0.333 3.836 4.170 -0.001 0.000 0.248 136 I C 2.297 178.621 176.117 0.346 0.000 1.073 136 I CA 2.038 63.490 61.300 0.253 0.000 1.335 136 I CB -0.508 37.667 38.000 0.292 0.000 1.031 136 I HN 0.318 nan 8.210 nan 0.000 0.420 137 Y N 1.449 121.795 120.300 0.077 0.000 2.070 137 Y HA -0.268 4.281 4.550 -0.001 0.000 0.280 137 Y C 2.362 178.360 175.900 0.164 0.000 1.148 137 Y CA 1.770 59.939 58.100 0.115 0.000 1.125 137 Y CB -0.469 37.760 38.460 -0.385 0.000 0.975 137 Y HN 0.002 nan 8.280 nan 0.000 0.492 138 L N -0.342 120.906 121.223 0.041 0.000 1.994 138 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 138 L C 1.076 177.780 176.870 -0.276 0.000 1.071 138 L CA 1.625 56.452 54.840 -0.022 0.000 0.745 138 L CB -0.665 41.393 42.059 -0.001 0.000 0.892 138 L HN 0.118 nan 8.230 nan 0.000 0.431 139 D N -0.958 119.304 120.400 -0.231 0.000 2.652 139 D HA -0.012 4.628 4.640 -0.001 0.000 0.247 139 D C 0.640 176.611 176.300 -0.550 0.000 1.232 139 D CA 0.628 54.391 54.000 -0.396 0.000 0.863 139 D CB -0.057 40.583 40.800 -0.267 0.000 1.023 139 D HN 0.286 nan 8.370 nan 0.000 0.474 140 H N -1.105 117.654 119.070 -0.519 0.000 3.676 140 H HA -0.032 4.524 4.556 -0.001 0.000 0.268 140 H C -0.084 174.862 175.328 -0.637 0.000 1.127 140 H CA -0.264 55.479 56.048 -0.509 0.000 1.162 140 H CB 0.110 29.573 29.762 -0.497 0.000 1.967 140 H HN 0.269 nan 8.280 nan 0.000 0.850 141 H N -0.026 118.832 119.070 -0.353 0.000 2.484 141 H HA -0.237 4.319 4.556 -0.001 0.000 0.321 141 H C 0.656 175.591 175.328 -0.654 0.000 1.065 141 H CA 0.957 56.608 56.048 -0.662 0.000 1.118 141 H CB -2.125 27.273 29.762 -0.608 0.000 1.511 141 H HN 0.538 nan 8.280 nan 0.000 0.403 142 Y N -0.351 119.738 120.300 -0.351 0.000 2.574 142 Y HA -0.227 4.322 4.550 -0.001 0.000 0.294 142 Y C 2.296 178.055 175.900 -0.235 0.000 1.142 142 Y CA 1.054 59.022 58.100 -0.220 0.000 1.314 142 Y CB -0.211 38.242 38.460 -0.011 0.000 0.991 142 Y HN 0.521 nan 8.280 nan 0.000 0.555 143 Y N -0.375 119.626 120.300 -0.498 0.000 2.014 143 Y HA -0.206 4.344 4.550 -0.001 0.000 0.270 143 Y C 1.468 177.407 175.900 0.065 0.000 1.145 143 Y CA 0.300 58.317 58.100 -0.139 0.000 1.106 143 Y CB -1.008 37.374 38.460 -0.129 0.000 0.968 143 Y HN -0.260 nan 8.280 nan 0.000 0.484 144 K N 2.280 122.663 120.400 -0.028 0.000 2.543 144 K HA -0.148 4.171 4.320 -0.001 0.000 0.279 144 K C 0.575 177.199 176.600 0.040 0.000 1.001 144 K CA 0.763 57.050 56.287 0.000 0.000 1.088 144 K CB 0.214 32.637 32.500 -0.127 0.000 0.863 144 K HN 0.443 nan 8.250 nan 0.000 0.488 145 N N 3.500 122.229 118.700 0.049 0.000 2.171 145 N HA 0.004 4.744 4.740 -0.001 0.000 0.184 145 N C -1.694 173.787 175.510 -0.047 0.000 1.021 145 N CA -0.060 53.006 53.050 0.027 0.000 0.854 145 N CB -0.151 38.345 38.487 0.015 0.000 0.994 145 N HN 0.439 nan 8.380 nan 0.000 0.426 146 P HA 0.011 nan 4.420 nan 0.000 0.264 146 P C -0.690 176.619 177.300 0.015 0.000 1.229 146 P CA 0.145 63.188 63.100 -0.095 0.000 0.780 146 P CB -0.482 31.185 31.700 -0.056 0.000 0.808 147 F N 4.017 123.932 119.950 -0.058 0.000 2.450 147 F HA 0.441 4.968 4.527 -0.001 0.000 0.339 147 F C -1.411 174.325 175.800 -0.106 0.000 1.146 147 F CA -2.011 55.939 58.000 -0.083 0.000 1.267 147 F CB 0.175 39.127 39.000 -0.079 0.000 1.178 147 F HN 0.191 nan 8.300 nan 0.000 0.585 148 P HA 0.132 nan 4.420 nan 0.000 0.260 148 P C -0.911 176.278 177.300 -0.185 0.000 1.222 148 P CA 0.093 63.142 63.100 -0.084 0.000 0.843 148 P CB 0.303 31.933 31.700 -0.116 0.000 1.159 149 K N 0.769 121.005 120.400 -0.273 0.000 3.419 149 K HA -0.166 4.153 4.320 -0.001 0.000 0.272 149 K C 0.100 176.538 176.600 -0.271 0.000 0.973 149 K CA 0.192 56.258 56.287 -0.369 0.000 0.749 149 K CB -1.862 30.308 32.500 -0.549 0.000 1.403 149 K HN 0.053 nan 8.250 nan 0.000 0.456 150 E N 1.402 121.478 120.200 -0.206 0.000 2.520 150 E HA -0.099 4.251 4.350 -0.001 0.000 0.201 150 E C 0.524 177.022 176.600 -0.171 0.000 1.122 150 E CA 0.383 56.694 56.400 -0.149 0.000 0.896 150 E CB -0.036 29.607 29.700 -0.096 0.000 0.891 150 E HN 0.337 nan 8.360 nan 0.000 0.533 151 E N -0.578 119.462 120.200 -0.266 0.000 3.912 151 E HA -0.302 4.047 4.350 -0.001 0.000 0.335 151 E C -0.097 176.268 176.600 -0.392 0.000 0.654 151 E CA 1.283 57.477 56.400 -0.344 0.000 1.177 151 E CB -1.181 28.391 29.700 -0.213 0.000 1.650 151 E HN 0.542 nan 8.360 nan 0.000 0.430 152 R N 0.281 120.652 120.500 -0.215 0.000 2.731 152 R HA -0.196 4.143 4.340 -0.001 0.000 0.584 152 R C 0.095 176.475 176.300 0.133 0.000 0.842 152 R CA 1.450 57.520 56.100 -0.050 0.000 1.648 152 R CB -0.762 29.518 30.300 -0.034 0.000 0.737 152 R HN 0.174 nan 8.270 nan 0.000 0.551 153 D N -0.283 120.258 120.400 0.235 0.000 2.304 153 D HA 0.140 4.780 4.640 -0.001 0.000 0.247 153 D C 0.825 177.428 176.300 0.505 0.000 1.089 153 D CA -0.567 53.634 54.000 0.336 0.000 0.910 153 D CB 1.256 42.214 40.800 0.263 0.000 1.199 153 D HN 0.380 nan 8.370 nan 0.000 0.426 154 L N 4.894 126.402 121.223 0.475 0.000 2.072 154 L HA -0.069 4.271 4.340 -0.001 0.000 0.205 154 L C 1.822 178.793 176.870 0.167 0.000 1.079 154 L CA 1.555 56.490 54.840 0.159 0.000 0.752 154 L CB -1.078 40.994 42.059 0.021 0.000 0.906 154 L HN 0.647 nan 8.230 nan 0.000 0.436 155 Y N -0.365 119.998 120.300 0.104 0.000 2.089 155 Y HA -0.261 4.289 4.550 -0.001 0.000 0.282 155 Y C 2.947 178.917 175.900 0.116 0.000 1.139 155 Y CA 2.266 60.420 58.100 0.090 0.000 1.123 155 Y CB -0.647 37.856 38.460 0.073 0.000 0.980 155 Y HN 0.342 nan 8.280 nan 0.000 0.493 156 S N -1.290 114.529 115.700 0.198 0.000 2.419 156 S HA -0.168 4.301 4.470 -0.001 0.000 0.233 156 S C 1.795 176.422 174.600 0.046 0.000 1.016 156 S CA 1.870 60.114 58.200 0.073 0.000 0.974 156 S CB -0.774 62.542 63.200 0.193 0.000 0.786 156 S HN 0.611 nan 8.310 nan 0.000 0.492 157 T N 1.279 115.913 114.554 0.133 0.000 2.937 157 T HA 0.083 4.433 4.350 -0.001 0.000 0.260 157 T C 2.088 176.872 174.700 0.140 0.000 1.051 157 T CA 1.243 63.425 62.100 0.135 0.000 1.141 157 T CB -0.354 68.644 68.868 0.218 0.000 0.879 157 T HN 0.484 nan 8.240 nan 0.000 0.459 158 S N 1.626 117.441 115.700 0.190 0.000 2.368 158 S HA 0.103 4.572 4.470 -0.001 0.000 0.224 158 S C 1.948 176.635 174.600 0.145 0.000 1.029 158 S CA 0.484 58.864 58.200 0.300 0.000 0.988 158 S CB -0.481 62.809 63.200 0.150 0.000 0.838 158 S HN 0.302 nan 8.310 nan 0.000 0.462 159 L N 1.406 122.583 121.223 -0.078 0.000 1.989 159 L HA -0.203 4.136 4.340 -0.001 0.000 0.211 159 L C 2.648 179.494 176.870 -0.040 0.000 1.071 159 L CA 1.850 56.614 54.840 -0.127 0.000 0.749 159 L CB -0.796 41.065 42.059 -0.330 0.000 0.890 159 L HN 0.388 nan 8.230 nan 0.000 0.431 160 A N -0.779 122.013 122.820 -0.046 0.000 1.972 160 A HA -0.283 4.036 4.320 -0.001 0.000 0.219 160 A C 2.037 179.567 177.584 -0.091 0.000 1.169 160 A CA 1.463 53.451 52.037 -0.081 0.000 0.635 160 A CB -0.834 18.090 19.000 -0.127 0.000 0.810 160 A HN 0.524 nan 8.150 nan 0.000 0.446 161 F N 0.701 120.557 119.950 -0.156 0.000 2.026 161 F HA -0.226 4.300 4.527 -0.001 0.000 0.296 161 F C 2.321 178.110 175.800 -0.018 0.000 1.133 161 F CA 2.268 60.223 58.000 -0.076 0.000 1.188 161 F CB -0.605 38.520 39.000 0.209 0.000 0.968 161 F HN 0.244 nan 8.300 nan 0.000 0.476 162 R N 0.321 120.891 120.500 0.116 0.000 2.136 162 R HA -0.232 4.107 4.340 -0.001 0.000 0.242 162 R C 2.265 178.528 176.300 -0.062 0.000 1.131 162 R CA 2.707 58.794 56.100 -0.022 0.000 0.937 162 R CB -0.834 29.485 30.300 0.031 0.000 0.863 162 R HN 0.503 nan 8.270 nan 0.000 0.435 163 L N 0.284 121.494 121.223 -0.022 0.000 2.217 163 L HA -0.110 4.230 4.340 -0.001 0.000 0.211 163 L C 2.294 179.228 176.870 0.107 0.000 1.107 163 L CA 0.619 55.478 54.840 0.031 0.000 0.783 163 L CB -0.280 41.745 42.059 -0.057 0.000 0.919 163 L HN 0.261 nan 8.230 nan 0.000 0.442 164 L N -0.645 120.603 121.223 0.041 0.000 2.007 164 L HA -0.147 4.192 4.340 -0.001 0.000 0.205 164 L C 2.764 179.686 176.870 0.085 0.000 1.073 164 L CA 1.117 56.084 54.840 0.211 0.000 0.744 164 L CB -0.424 41.673 42.059 0.063 0.000 0.898 164 L HN 0.056 nan 8.230 nan 0.000 0.435 165 R N 0.048 120.454 120.500 -0.156 0.000 2.117 165 R HA -0.238 4.101 4.340 -0.001 0.000 0.243 165 R C 2.216 178.414 176.300 -0.171 0.000 1.143 165 R CA 1.752 57.716 56.100 -0.227 0.000 0.968 165 R CB -0.244 29.776 30.300 -0.466 0.000 0.863 165 R HN 0.459 nan 8.270 nan 0.000 0.444 166 E N -0.538 119.583 120.200 -0.131 0.000 2.028 166 E HA -0.211 4.138 4.350 -0.001 0.000 0.191 166 E C 0.767 177.229 176.600 -0.230 0.000 0.988 166 E CA 1.361 57.686 56.400 -0.124 0.000 0.799 166 E CB -0.117 29.552 29.700 -0.051 0.000 0.755 166 E HN 0.477 nan 8.360 nan 0.000 0.447 167 H N -0.474 118.489 119.070 -0.179 0.000 2.611 167 H HA 0.193 4.748 4.556 -0.001 0.000 0.283 167 H C 0.566 175.551 175.328 -0.572 0.000 1.075 167 H CA 0.870 56.738 56.048 -0.300 0.000 1.184 167 H CB -0.100 29.497 29.762 -0.275 0.000 1.294 167 H HN 0.468 nan 8.280 nan 0.000 0.619 168 G N -0.108 108.478 108.800 -0.358 0.000 2.246 168 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.273 168 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.273 168 G C -0.092 174.597 174.900 -0.351 0.000 1.055 168 G CA -0.189 44.711 45.100 -0.332 0.000 0.851 168 G HN 0.396 nan 8.290 nan 0.000 0.500 169 F N -0.401 119.449 119.950 -0.168 0.000 2.425 169 F HA 0.444 4.970 4.527 -0.001 0.000 0.331 169 F C 0.969 176.669 175.800 -0.167 0.000 1.085 169 F CA -0.961 56.873 58.000 -0.277 0.000 1.028 169 F CB 1.389 40.123 39.000 -0.443 0.000 1.177 169 F HN 0.123 nan 8.300 nan 0.000 0.487 170 Q N 3.242 123.133 119.800 0.152 0.000 2.300 170 Q HA 0.295 4.634 4.340 -0.001 0.000 0.262 170 Q C -1.660 174.556 176.000 0.360 0.000 1.109 170 Q CA -0.052 55.884 55.803 0.221 0.000 0.905 170 Q CB 0.594 29.491 28.738 0.265 0.000 1.280 170 Q HN 0.533 nan 8.270 nan 0.000 0.426 171 V N 4.171 124.234 119.914 0.248 0.000 2.439 171 V HA 0.365 4.485 4.120 -0.001 0.000 0.277 171 V C -0.102 176.216 176.094 0.374 0.000 1.008 171 V CA -0.648 61.849 62.300 0.328 0.000 0.846 171 V CB 1.088 33.024 31.823 0.189 0.000 1.031 171 V HN 0.953 nan 8.190 nan 0.000 0.441 172 A N 3.280 126.297 122.820 0.327 0.000 2.624 172 A HA -0.014 4.306 4.320 -0.001 0.000 0.231 172 A C 1.545 179.341 177.584 0.353 0.000 1.034 172 A CA 1.195 53.398 52.037 0.278 0.000 0.754 172 A CB 0.125 19.230 19.000 0.176 0.000 0.953 172 A HN 1.073 nan 8.150 nan 0.000 0.509 173 Q N 1.583 121.559 119.800 0.293 0.000 2.077 173 Q HA -0.246 4.094 4.340 -0.001 0.000 0.206 173 Q C 1.484 177.620 176.000 0.226 0.000 0.989 173 Q CA 2.131 58.114 55.803 0.300 0.000 0.853 173 Q CB -0.252 28.606 28.738 0.200 0.000 0.907 173 Q HN 0.866 nan 8.270 nan 0.000 0.418 174 E N 0.493 120.779 120.200 0.144 0.000 2.483 174 E HA -0.179 4.171 4.350 -0.001 0.000 0.205 174 E C 1.881 178.574 176.600 0.155 0.000 1.075 174 E CA 0.959 57.426 56.400 0.111 0.000 0.889 174 E CB -0.734 28.944 29.700 -0.036 0.000 0.816 174 E HN 0.345 nan 8.360 nan 0.000 0.567 175 V N 0.596 120.546 119.914 0.060 0.000 2.255 175 V HA -0.253 3.866 4.120 -0.001 0.000 0.247 175 V C 1.685 177.676 176.094 -0.173 0.000 1.051 175 V CA 1.756 63.995 62.300 -0.101 0.000 1.018 175 V CB -0.534 31.118 31.823 -0.284 0.000 0.641 175 V HN 0.196 nan 8.190 nan 0.000 0.445 176 F N 0.213 120.243 119.950 0.134 0.000 2.722 176 F HA -0.061 4.465 4.527 -0.001 0.000 0.298 176 F C 1.947 177.923 175.800 0.292 0.000 1.175 176 F CA 0.804 59.010 58.000 0.342 0.000 1.462 176 F CB -0.633 38.461 39.000 0.158 0.000 1.111 176 F HN 0.234 nan 8.300 nan 0.000 0.592 177 D N 0.295 120.839 120.400 0.239 0.000 2.116 177 D HA -0.191 4.448 4.640 -0.001 0.000 0.193 177 D C 2.282 178.552 176.300 -0.051 0.000 0.998 177 D CA 1.791 55.882 54.000 0.151 0.000 0.836 177 D CB -0.434 40.632 40.800 0.444 0.000 0.951 177 D HN 0.252 nan 8.370 nan 0.000 0.449 178 S N -0.676 114.874 115.700 -0.249 0.000 2.795 178 S HA -0.092 4.377 4.470 -0.001 0.000 0.236 178 S C 0.707 174.997 174.600 -0.516 0.000 0.973 178 S CA 0.112 58.026 58.200 -0.476 0.000 0.982 178 S CB -0.988 61.842 63.200 -0.617 0.000 0.786 178 S HN 0.154 nan 8.310 nan 0.000 0.538 179 F N 1.030 120.907 119.950 -0.122 0.000 2.764 179 F HA 0.465 4.992 4.527 -0.001 0.000 0.310 179 F C 0.457 176.100 175.800 -0.263 0.000 1.124 179 F CA -0.884 57.071 58.000 -0.075 0.000 1.252 179 F CB 0.372 39.456 39.000 0.140 0.000 1.010 179 F HN 0.041 nan 8.300 nan 0.000 0.518 180 K N 0.881 121.181 120.400 -0.167 0.000 2.259 180 K HA 0.390 4.709 4.320 -0.001 0.000 0.249 180 K C -0.340 176.189 176.600 -0.119 0.000 0.942 180 K CA -1.146 54.998 56.287 -0.238 0.000 0.816 180 K CB 1.344 33.666 32.500 -0.298 0.000 1.155 180 K HN -0.063 nan 8.250 nan 0.000 0.428 181 N N 0.767 119.416 118.700 -0.086 0.000 2.327 181 N HA -0.007 4.732 4.740 -0.001 0.000 0.257 181 N C 0.196 175.677 175.510 -0.048 0.000 1.281 181 N CA -0.339 52.683 53.050 -0.046 0.000 0.942 181 N CB 0.271 38.748 38.487 -0.017 0.000 1.199 181 N HN 0.518 nan 8.380 nan 0.000 0.532 182 E N -0.689 119.492 120.200 -0.033 0.000 2.478 182 E HA -0.065 4.284 4.350 -0.001 0.000 0.198 182 E C 0.649 177.237 176.600 -0.020 0.000 1.046 182 E CA 0.546 56.930 56.400 -0.028 0.000 0.870 182 E CB -0.170 29.517 29.700 -0.022 0.000 0.818 182 E HN 0.638 nan 8.360 nan 0.000 0.527 183 E N -0.678 119.511 120.200 -0.018 0.000 2.511 183 E HA -0.021 4.328 4.350 -0.001 0.000 0.196 183 E C 1.027 177.617 176.600 -0.017 0.000 1.066 183 E CA 0.379 56.773 56.400 -0.010 0.000 0.871 183 E CB 0.015 29.714 29.700 -0.002 0.000 0.863 183 E HN 0.387 nan 8.360 nan 0.000 0.520 184 G N 1.412 110.192 108.800 -0.033 0.000 2.205 184 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.261 184 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.261 184 G C 0.117 174.976 174.900 -0.069 0.000 0.980 184 G CA 0.567 45.641 45.100 -0.045 0.000 0.632 184 G HN 0.360 nan 8.290 nan 0.000 0.533 185 E N -0.740 119.428 120.200 -0.053 0.000 2.351 185 E HA 0.596 4.946 4.350 -0.001 0.000 0.255 185 E C -0.028 176.503 176.600 -0.115 0.000 1.188 185 E CA -0.904 55.469 56.400 -0.044 0.000 0.940 185 E CB 0.674 30.373 29.700 -0.002 0.000 1.094 185 E HN 0.150 nan 8.360 nan 0.000 0.474 186 F N 0.860 120.666 119.950 -0.240 0.000 2.450 186 F HA 0.094 4.620 4.527 -0.001 0.000 0.339 186 F C 0.842 176.408 175.800 -0.391 0.000 1.146 186 F CA 0.094 57.828 58.000 -0.444 0.000 1.267 186 F CB 0.694 39.075 39.000 -1.032 0.000 1.178 186 F HN 0.092 nan 8.300 nan 0.000 0.585 187 K N 2.223 122.602 120.400 -0.035 0.000 2.363 187 K HA 0.007 4.327 4.320 -0.001 0.000 0.289 187 K C 0.476 177.197 176.600 0.201 0.000 1.063 187 K CA -0.094 56.244 56.287 0.085 0.000 0.967 187 K CB 0.404 33.007 32.500 0.171 0.000 0.987 187 K HN 0.387 nan 8.250 nan 0.000 0.473 188 E N 1.054 121.380 120.200 0.210 0.000 2.515 188 E HA -0.107 4.242 4.350 -0.001 0.000 0.201 188 E C 0.514 177.227 176.600 0.188 0.000 1.071 188 E CA 0.673 57.268 56.400 0.325 0.000 0.880 188 E CB -0.175 29.675 29.700 0.250 0.000 0.828 188 E HN 0.387 nan 8.360 nan 0.000 0.540 189 S N 0.863 116.664 115.700 0.168 0.000 2.371 189 S HA 0.053 4.523 4.470 -0.001 0.000 0.221 189 S C 1.892 176.547 174.600 0.091 0.000 1.036 189 S CA 0.341 58.598 58.200 0.095 0.000 0.965 189 S CB -0.399 62.858 63.200 0.095 0.000 0.845 189 S HN 0.184 nan 8.310 nan 0.000 0.475 190 L N 2.731 124.084 121.223 0.216 0.000 2.151 190 L HA -0.225 4.114 4.340 -0.001 0.000 0.215 190 L C 2.742 179.620 176.870 0.014 0.000 1.084 190 L CA 1.358 56.338 54.840 0.233 0.000 0.764 190 L CB -1.162 41.207 42.059 0.518 0.000 0.891 190 L HN 0.510 nan 8.230 nan 0.000 0.435 191 S N -0.285 115.338 115.700 -0.128 0.000 2.453 191 S HA -0.290 4.180 4.470 -0.001 0.000 0.250 191 S C 1.373 175.669 174.600 -0.507 0.000 1.044 191 S CA 2.124 59.901 58.200 -0.705 0.000 1.010 191 S CB -0.437 62.284 63.200 -0.800 0.000 0.793 191 S HN 0.572 nan 8.310 nan 0.000 0.493 192 D N 0.353 120.610 120.400 -0.238 0.000 2.394 192 D HA 0.074 4.713 4.640 -0.001 0.000 0.226 192 D C 0.297 176.529 176.300 -0.113 0.000 0.990 192 D CA 0.259 54.156 54.000 -0.172 0.000 0.902 192 D CB -0.675 40.059 40.800 -0.110 0.000 1.038 192 D HN 0.509 nan 8.370 nan 0.000 0.499 193 D N 2.189 122.550 120.400 -0.064 0.000 2.357 193 D HA -0.043 4.597 4.640 -0.001 0.000 0.265 193 D C 1.038 177.313 176.300 -0.043 0.000 1.334 193 D CA 0.294 54.278 54.000 -0.027 0.000 0.984 193 D CB 0.397 41.220 40.800 0.038 0.000 1.077 193 D HN 0.033 nan 8.370 nan 0.000 0.514 194 T N 0.651 115.169 114.554 -0.060 0.000 3.086 194 T HA 0.084 4.433 4.350 -0.001 0.000 0.250 194 T C 1.524 176.218 174.700 -0.011 0.000 1.074 194 T CA -0.178 61.888 62.100 -0.056 0.000 0.988 194 T CB 0.141 68.961 68.868 -0.079 0.000 0.988 194 T HN 0.318 nan 8.240 nan 0.000 0.530 195 R N 1.676 122.173 120.500 -0.004 0.000 2.060 195 R HA 0.281 4.621 4.340 -0.001 0.000 0.225 195 R C 2.836 179.279 176.300 0.239 0.000 1.155 195 R CA 1.210 57.332 56.100 0.037 0.000 0.930 195 R CB -1.473 28.713 30.300 -0.190 0.000 0.829 195 R HN 0.287 nan 8.270 nan 0.000 0.433 196 G N 2.161 111.143 108.800 0.303 0.000 2.574 196 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.220 196 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.220 196 G C 1.385 176.370 174.900 0.142 0.000 1.173 196 G CA 1.135 46.444 45.100 0.348 0.000 0.772 196 G HN 0.154 nan 8.290 nan 0.000 0.585 197 L N 0.443 121.697 121.223 0.051 0.000 1.978 197 L HA -0.141 4.198 4.340 -0.001 0.000 0.218 197 L C 2.747 179.611 176.870 -0.010 0.000 1.075 197 L CA 2.357 57.174 54.840 -0.038 0.000 0.767 197 L CB -0.866 41.126 42.059 -0.111 0.000 0.890 197 L HN 0.336 nan 8.230 nan 0.000 0.434 198 L N -1.033 120.198 121.223 0.013 0.000 2.042 198 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 198 L C 2.308 179.252 176.870 0.122 0.000 1.076 198 L CA 1.788 56.642 54.840 0.023 0.000 0.749 198 L CB -0.916 41.149 42.059 0.010 0.000 0.893 198 L HN 0.365 nan 8.230 nan 0.000 0.432 199 Q N -0.402 119.472 119.800 0.124 0.000 2.364 199 Q HA -0.126 4.214 4.340 -0.001 0.000 0.207 199 Q C 2.198 178.224 176.000 0.044 0.000 0.970 199 Q CA 1.723 57.580 55.803 0.091 0.000 0.888 199 Q CB -0.243 28.508 28.738 0.021 0.000 0.951 199 Q HN 0.659 nan 8.270 nan 0.000 0.469 200 L N -0.951 120.274 121.223 0.003 0.000 2.127 200 L HA -0.087 4.253 4.340 -0.001 0.000 0.203 200 L C 2.315 179.111 176.870 -0.123 0.000 1.080 200 L CA 1.134 55.892 54.840 -0.136 0.000 0.768 200 L CB -0.611 41.309 42.059 -0.232 0.000 0.924 200 L HN 0.126 nan 8.230 nan 0.000 0.444 201 Y N 0.381 120.594 120.300 -0.145 0.000 2.315 201 Y HA -0.190 4.360 4.550 -0.001 0.000 0.288 201 Y C 1.961 177.863 175.900 0.004 0.000 1.154 201 Y CA 1.803 59.843 58.100 -0.099 0.000 1.229 201 Y CB -0.108 38.312 38.460 -0.067 0.000 0.980 201 Y HN 0.317 nan 8.280 nan 0.000 0.540 202 E N -0.080 120.163 120.200 0.070 0.000 2.478 202 E HA 0.077 4.426 4.350 -0.001 0.000 0.194 202 E C 1.802 178.386 176.600 -0.026 0.000 1.045 202 E CA 0.622 57.028 56.400 0.010 0.000 0.868 202 E CB 0.296 30.067 29.700 0.118 0.000 0.885 202 E HN 0.633 nan 8.360 nan 0.000 0.505 203 A N 0.861 123.648 122.820 -0.055 0.000 2.115 203 A HA -0.008 4.311 4.320 -0.001 0.000 0.211 203 A C 2.268 179.839 177.584 -0.021 0.000 1.169 203 A CA 0.589 52.664 52.037 0.063 0.000 0.787 203 A CB 0.008 19.160 19.000 0.254 0.000 0.858 203 A HN 0.202 nan 8.150 nan 0.000 0.474 204 S N 0.150 115.705 115.700 -0.243 0.000 2.370 204 S HA -0.204 4.266 4.470 -0.001 0.000 0.226 204 S C 1.434 175.756 174.600 -0.464 0.000 1.033 204 S CA 1.404 59.378 58.200 -0.376 0.000 1.011 204 S CB -0.954 61.910 63.200 -0.560 0.000 0.852 204 S HN 0.389 nan 8.310 nan 0.000 0.457 205 F N 1.092 120.795 119.950 -0.413 0.000 2.481 205 F HA 0.081 4.607 4.527 -0.001 0.000 0.297 205 F C 1.290 176.928 175.800 -0.271 0.000 1.095 205 F CA 0.451 58.183 58.000 -0.447 0.000 1.465 205 F CB -0.430 38.115 39.000 -0.759 0.000 1.098 205 F HN 0.162 nan 8.300 nan 0.000 0.585 206 L N -0.008 121.102 121.223 -0.189 0.000 2.741 206 L HA 0.165 4.505 4.340 -0.001 0.000 0.237 206 L C 0.810 177.638 176.870 -0.070 0.000 1.178 206 L CA -0.019 54.677 54.840 -0.241 0.000 0.973 206 L CB -0.511 41.349 42.059 -0.331 0.000 1.255 206 L HN 0.068 nan 8.230 nan 0.000 0.498 207 L N -2.547 118.661 121.223 -0.026 0.000 2.777 207 L HA 0.705 5.044 4.340 -0.001 0.000 0.195 207 L C 0.088 176.974 176.870 0.027 0.000 1.190 207 L CA -0.460 54.394 54.840 0.024 0.000 0.933 207 L CB 0.427 42.483 42.059 -0.005 0.000 1.758 207 L HN 0.124 nan 8.230 nan 0.000 0.515 208 T N -3.022 111.543 114.554 0.018 0.000 2.821 208 T HA 0.327 4.677 4.350 -0.001 0.000 0.306 208 T C -0.797 173.893 174.700 -0.018 0.000 1.313 208 T CA -0.749 61.346 62.100 -0.007 0.000 1.012 208 T CB 1.579 70.446 68.868 -0.002 0.000 1.298 208 T HN 0.722 nan 8.240 nan 0.000 0.502 209 E N 0.255 120.426 120.200 -0.048 0.000 2.414 209 E HA 0.439 4.789 4.350 -0.001 0.000 0.263 209 E C 1.182 177.777 176.600 -0.009 0.000 1.000 209 E CA 1.435 57.814 56.400 -0.034 0.000 0.914 209 E CB -0.281 29.388 29.700 -0.052 0.000 0.948 209 E HN 1.437 nan 8.360 nan 0.000 0.444 210 G N 3.975 112.780 108.800 0.007 0.000 2.215 210 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.198 210 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.198 210 G C -0.167 174.751 174.900 0.030 0.000 1.047 210 G CA 0.056 45.167 45.100 0.019 0.000 0.747 210 G HN 0.526 nan 8.290 nan 0.000 0.495 211 E N 0.141 120.359 120.200 0.031 0.000 4.129 211 E HA 0.215 4.564 4.350 -0.001 0.000 0.222 211 E C 1.425 178.048 176.600 0.038 0.000 1.179 211 E CA 0.138 56.568 56.400 0.050 0.000 1.334 211 E CB 0.245 29.988 29.700 0.070 0.000 1.202 211 E HN 0.239 nan 8.360 nan 0.000 0.428 212 T N 0.143 114.718 114.554 0.035 0.000 2.565 212 T HA -0.261 4.088 4.350 -0.001 0.000 0.265 212 T C 1.951 176.679 174.700 0.047 0.000 1.082 212 T CA 2.364 64.484 62.100 0.034 0.000 1.173 212 T CB -0.355 68.534 68.868 0.035 0.000 0.864 212 T HN 0.332 nan 8.240 nan 0.000 0.425 213 T N 2.389 116.982 114.554 0.065 0.000 2.668 213 T HA -0.186 4.163 4.350 -0.001 0.000 0.265 213 T C 1.815 176.573 174.700 0.096 0.000 1.041 213 T CA 1.267 63.430 62.100 0.104 0.000 1.160 213 T CB -0.597 68.341 68.868 0.116 0.000 0.857 213 T HN 0.046 nan 8.240 nan 0.000 0.455 214 L N 0.804 122.035 121.223 0.013 0.000 2.027 214 L HA 0.053 4.392 4.340 -0.001 0.000 0.206 214 L C 2.593 179.386 176.870 -0.128 0.000 1.074 214 L CA 1.535 56.310 54.840 -0.107 0.000 0.745 214 L CB -1.151 40.881 42.059 -0.045 0.000 0.898 214 L HN 0.299 nan 8.230 nan 0.000 0.433 215 E N -0.889 119.267 120.200 -0.073 0.000 2.267 215 E HA -0.174 4.176 4.350 -0.001 0.000 0.197 215 E C 1.944 178.512 176.600 -0.053 0.000 0.998 215 E CA 1.236 57.585 56.400 -0.085 0.000 0.830 215 E CB 0.126 29.805 29.700 -0.034 0.000 0.751 215 E HN 0.567 nan 8.360 nan 0.000 0.491 216 S N -1.125 114.581 115.700 0.010 0.000 2.511 216 S HA 0.262 4.731 4.470 -0.001 0.000 0.214 216 S C 1.867 176.473 174.600 0.009 0.000 0.997 216 S CA 0.181 58.410 58.200 0.048 0.000 0.908 216 S CB 0.827 64.100 63.200 0.122 0.000 0.803 216 S HN 0.236 nan 8.310 nan 0.000 0.504 217 A N 3.414 126.200 122.820 -0.057 0.000 1.873 217 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 217 A C 2.276 179.694 177.584 -0.278 0.000 1.186 217 A CA 1.461 53.280 52.037 -0.364 0.000 0.616 217 A CB -0.744 18.025 19.000 -0.385 0.000 0.823 217 A HN 0.650 nan 8.150 nan 0.000 0.442 218 R N 0.272 120.626 120.500 -0.243 0.000 2.091 218 R HA -0.187 4.153 4.340 -0.001 0.000 0.238 218 R C 1.762 178.027 176.300 -0.058 0.000 1.136 218 R CA 2.057 58.028 56.100 -0.216 0.000 0.959 218 R CB -0.525 29.540 30.300 -0.392 0.000 0.856 218 R HN 0.611 nan 8.270 nan 0.000 0.437 219 E N -0.069 120.099 120.200 -0.053 0.000 2.023 219 E HA -0.221 4.129 4.350 -0.001 0.000 0.196 219 E C 1.753 178.350 176.600 -0.006 0.000 1.003 219 E CA 1.670 58.064 56.400 -0.010 0.000 0.809 219 E CB -0.356 29.348 29.700 0.006 0.000 0.755 219 E HN 0.366 nan 8.360 nan 0.000 0.449 220 F N 1.619 121.454 119.950 -0.191 0.000 2.069 220 F HA -0.212 4.315 4.527 -0.001 0.000 0.298 220 F C 2.178 177.868 175.800 -0.182 0.000 1.113 220 F CA 1.587 59.454 58.000 -0.221 0.000 1.214 220 F CB -0.741 38.100 39.000 -0.265 0.000 0.978 220 F HN -0.030 nan 8.300 nan 0.000 0.474 221 A N -0.081 122.629 122.820 -0.183 0.000 1.873 221 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 221 A C 2.237 179.744 177.584 -0.129 0.000 1.193 221 A CA 2.740 54.658 52.037 -0.197 0.000 0.629 221 A CB -1.607 17.388 19.000 -0.009 0.000 0.826 221 A HN 0.496 nan 8.150 nan 0.000 0.447 222 T N 0.019 114.572 114.554 -0.001 0.000 2.665 222 T HA -0.226 4.123 4.350 -0.001 0.000 0.268 222 T C 2.014 176.619 174.700 -0.158 0.000 1.035 222 T CA 1.897 63.968 62.100 -0.049 0.000 1.151 222 T CB -0.295 68.612 68.868 0.064 0.000 0.862 222 T HN 0.694 nan 8.240 nan 0.000 0.438 223 K N 0.264 120.517 120.400 -0.245 0.000 2.032 223 K HA -0.144 4.175 4.320 -0.001 0.000 0.209 223 K C 1.945 178.299 176.600 -0.411 0.000 1.048 223 K CA 1.655 57.720 56.287 -0.370 0.000 0.927 223 K CB -0.441 31.729 32.500 -0.551 0.000 0.712 223 K HN 0.298 nan 8.250 nan 0.000 0.441 224 F N 1.788 121.610 119.950 -0.214 0.000 2.163 224 F HA -0.011 4.515 4.527 -0.001 0.000 0.297 224 F C 2.339 178.027 175.800 -0.186 0.000 1.094 224 F CA 0.700 58.570 58.000 -0.216 0.000 1.290 224 F CB -0.644 38.155 39.000 -0.334 0.000 1.017 224 F HN -0.067 nan 8.300 nan 0.000 0.483 225 L N -0.182 121.011 121.223 -0.050 0.000 1.997 225 L HA -0.292 4.047 4.340 -0.001 0.000 0.216 225 L C 2.439 179.257 176.870 -0.086 0.000 1.074 225 L CA 1.769 56.542 54.840 -0.112 0.000 0.763 225 L CB -0.807 41.106 42.059 -0.243 0.000 0.890 225 L HN 0.100 nan 8.230 nan 0.000 0.434 226 E N -0.054 120.085 120.200 -0.102 0.000 2.072 226 E HA -0.297 4.053 4.350 -0.001 0.000 0.218 226 E C 2.073 178.650 176.600 -0.039 0.000 1.051 226 E CA 2.105 58.459 56.400 -0.075 0.000 0.880 226 E CB 0.026 29.674 29.700 -0.087 0.000 0.783 226 E HN 0.317 nan 8.360 nan 0.000 0.473 227 E N 0.483 120.674 120.200 -0.015 0.000 2.038 227 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 227 E C 1.938 178.544 176.600 0.009 0.000 1.000 227 E CA 0.969 57.378 56.400 0.015 0.000 0.803 227 E CB -0.275 29.467 29.700 0.070 0.000 0.750 227 E HN 0.142 nan 8.360 nan 0.000 0.448 228 K N 0.375 120.782 120.400 0.013 0.000 2.144 228 K HA -0.136 4.183 4.320 -0.001 0.000 0.209 228 K C 2.117 178.699 176.600 -0.030 0.000 1.047 228 K CA 1.089 57.367 56.287 -0.015 0.000 0.927 228 K CB -0.545 31.937 32.500 -0.031 0.000 0.716 228 K HN 0.099 nan 8.250 nan 0.000 0.454 229 V N 1.598 121.490 119.914 -0.036 0.000 2.649 229 V HA -0.130 3.990 4.120 -0.001 0.000 0.248 229 V C 2.146 178.225 176.094 -0.025 0.000 1.054 229 V CA 1.242 63.520 62.300 -0.038 0.000 1.073 229 V CB -0.503 31.292 31.823 -0.046 0.000 0.699 229 V HN 0.319 nan 8.190 nan 0.000 0.463 230 N N 1.190 119.879 118.700 -0.019 0.000 2.289 230 N HA -0.126 4.613 4.740 -0.001 0.000 0.184 230 N C 0.828 176.333 175.510 -0.008 0.000 1.016 230 N CA 1.026 54.069 53.050 -0.011 0.000 0.872 230 N CB 0.133 38.615 38.487 -0.008 0.000 0.973 230 N HN 0.811 nan 8.380 nan 0.000 0.433 231 E N -2.302 117.893 120.200 -0.009 0.000 2.267 231 E HA 0.530 4.879 4.350 -0.001 0.000 0.258 231 E C 1.120 177.710 176.600 -0.016 0.000 1.074 231 E CA -0.529 55.866 56.400 -0.009 0.000 0.915 231 E CB -0.207 29.489 29.700 -0.007 0.000 1.186 231 E HN -0.024 nan 8.360 nan 0.000 0.439 232 G N -0.085 108.705 108.800 -0.017 0.000 2.615 232 G HA2 0.174 4.133 3.960 -0.001 0.000 0.213 232 G HA3 0.174 4.133 3.960 -0.001 0.000 0.213 232 G C 0.838 175.720 174.900 -0.030 0.000 1.135 232 G CA 0.137 45.224 45.100 -0.021 0.000 0.772 232 G HN 0.907 nan 8.290 nan 0.000 0.542 233 G N -1.646 107.135 108.800 -0.033 0.000 2.870 233 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.685 233 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.685 233 G C 0.180 175.052 174.900 -0.047 0.000 1.556 233 G CA -0.375 44.700 45.100 -0.043 0.000 1.042 233 G HN 0.763 nan 8.290 nan 0.000 0.592 234 V N 2.594 122.475 119.914 -0.054 0.000 3.292 234 V HA 0.305 4.425 4.120 -0.001 0.000 0.372 234 V C 0.903 176.958 176.094 -0.065 0.000 1.249 234 V CA 1.398 63.664 62.300 -0.056 0.000 1.378 234 V CB -0.827 30.961 31.823 -0.059 0.000 1.245 234 V HN 0.911 nan 8.190 nan 0.000 0.467 235 D N -0.796 119.563 120.400 -0.068 0.000 5.170 235 D HA 0.249 4.889 4.640 -0.001 0.000 0.364 235 D C 0.778 177.031 176.300 -0.080 0.000 1.827 235 D CA 0.650 54.603 54.000 -0.079 0.000 1.026 235 D CB 0.856 41.597 40.800 -0.097 0.000 1.526 235 D HN 0.145 nan 8.370 nan 0.000 0.689 236 G N 0.079 108.819 108.800 -0.100 0.000 4.120 236 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.209 236 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.209 236 G C 0.499 175.312 174.900 -0.144 0.000 1.430 236 G CA 0.998 46.037 45.100 -0.102 0.000 0.975 236 G HN 0.434 nan 8.290 nan 0.000 0.525 237 D N 0.038 120.326 120.400 -0.187 0.000 2.323 237 D HA 0.095 4.734 4.640 -0.001 0.000 0.209 237 D C 2.171 178.289 176.300 -0.303 0.000 0.973 237 D CA 0.468 54.291 54.000 -0.295 0.000 0.874 237 D CB 0.270 40.864 40.800 -0.343 0.000 0.930 237 D HN 0.162 nan 8.370 nan 0.000 0.521 238 L N 0.356 121.453 121.223 -0.210 0.000 2.007 238 L HA 0.001 4.340 4.340 -0.001 0.000 0.205 238 L C 2.066 178.839 176.870 -0.163 0.000 1.073 238 L CA 1.293 56.023 54.840 -0.183 0.000 0.744 238 L CB -1.028 40.951 42.059 -0.133 0.000 0.898 238 L HN 0.168 nan 8.230 nan 0.000 0.435 239 L N -0.116 121.030 121.223 -0.129 0.000 2.151 239 L HA -0.346 3.993 4.340 -0.001 0.000 0.219 239 L C 2.479 179.290 176.870 -0.097 0.000 1.083 239 L CA 2.729 57.510 54.840 -0.098 0.000 0.782 239 L CB -1.204 40.808 42.059 -0.079 0.000 0.891 239 L HN 0.685 nan 8.230 nan 0.000 0.439 240 T N -4.088 110.377 114.554 -0.148 0.000 2.939 240 T HA -0.129 4.220 4.350 -0.001 0.000 0.254 240 T C 2.040 176.656 174.700 -0.139 0.000 1.041 240 T CA 0.189 62.211 62.100 -0.131 0.000 1.142 240 T CB -0.227 68.525 68.868 -0.194 0.000 0.874 240 T HN 0.176 nan 8.240 nan 0.000 0.452 241 R N 0.668 120.989 120.500 -0.299 0.000 2.120 241 R HA -0.015 4.324 4.340 -0.001 0.000 0.234 241 R C 2.333 178.635 176.300 0.002 0.000 1.123 241 R CA 1.227 57.198 56.100 -0.214 0.000 0.975 241 R CB -0.443 29.677 30.300 -0.301 0.000 0.866 241 R HN 0.488 nan 8.270 nan 0.000 0.446 242 I N -0.009 120.523 120.570 -0.064 0.000 2.226 242 I HA -0.185 3.985 4.170 -0.001 0.000 0.245 242 I C 2.419 178.508 176.117 -0.047 0.000 1.100 242 I CA 1.352 62.607 61.300 -0.074 0.000 1.374 242 I CB -1.506 36.432 38.000 -0.103 0.000 1.057 242 I HN 0.055 nan 8.210 nan 0.000 0.413 243 A N 0.149 122.969 122.820 0.000 0.000 1.968 243 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 243 A C 2.339 179.996 177.584 0.121 0.000 1.169 243 A CA 0.851 52.909 52.037 0.035 0.000 0.638 243 A CB -0.994 18.035 19.000 0.047 0.000 0.812 243 A HN 0.475 nan 8.150 nan 0.000 0.446 244 Y N 0.772 121.105 120.300 0.056 0.000 2.165 244 Y HA -0.154 4.395 4.550 -0.001 0.000 0.286 244 Y C 2.329 178.288 175.900 0.098 0.000 1.155 244 Y CA 1.963 60.150 58.100 0.146 0.000 1.164 244 Y CB -0.202 38.453 38.460 0.325 0.000 0.978 244 Y HN 0.254 nan 8.280 nan 0.000 0.513 245 S N -0.404 115.365 115.700 0.114 0.000 2.575 245 S HA 0.158 4.627 4.470 -0.001 0.000 0.215 245 S C 1.540 176.099 174.600 -0.068 0.000 0.966 245 S CA -0.002 58.177 58.200 -0.035 0.000 0.911 245 S CB -0.122 63.139 63.200 0.101 0.000 0.780 245 S HN 0.416 nan 8.310 nan 0.000 0.514 246 L N 0.732 121.896 121.223 -0.098 0.000 2.492 246 L HA 0.061 4.401 4.340 -0.001 0.000 0.223 246 L C 1.935 178.803 176.870 -0.003 0.000 1.132 246 L CA 0.681 55.448 54.840 -0.122 0.000 0.850 246 L CB -0.036 41.929 42.059 -0.157 0.000 0.966 246 L HN 0.176 nan 8.230 nan 0.000 0.454 247 D N 0.290 120.685 120.400 -0.009 0.000 2.183 247 D HA 0.069 4.709 4.640 -0.001 0.000 0.205 247 D C 0.396 176.700 176.300 0.007 0.000 0.962 247 D CA 0.952 54.980 54.000 0.047 0.000 0.849 247 D CB 0.548 41.383 40.800 0.059 0.000 0.978 247 D HN 0.118 nan 8.370 nan 0.000 0.488 248 I N 0.491 120.975 120.570 -0.143 0.000 2.637 248 I HA 0.214 4.384 4.170 -0.001 0.000 0.285 248 I C -2.568 173.340 176.117 -0.348 0.000 1.222 248 I CA -2.012 59.160 61.300 -0.212 0.000 1.067 248 I CB 2.473 40.328 38.000 -0.241 0.000 1.279 248 I HN -0.242 nan 8.210 nan 0.000 0.441 249 P HA 0.119 nan 4.420 nan 0.000 0.268 249 P C 0.860 177.873 177.300 -0.479 0.000 1.208 249 P CA -0.057 62.620 63.100 -0.706 0.000 0.777 249 P CB 0.844 31.412 31.700 -1.886 0.000 0.875 250 L N 0.550 121.607 121.223 -0.277 0.000 2.131 250 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 250 L C 2.410 179.160 176.870 -0.200 0.000 1.092 250 L CA 1.530 56.266 54.840 -0.174 0.000 0.759 250 L CB -1.073 40.945 42.059 -0.068 0.000 0.903 250 L HN 0.508 nan 8.230 nan 0.000 0.435 251 H N -0.603 118.220 119.070 -0.411 0.000 2.457 251 H HA -0.190 4.365 4.556 -0.001 0.000 0.297 251 H C 1.387 176.543 175.328 -0.286 0.000 1.092 251 H CA 1.474 57.307 56.048 -0.358 0.000 1.309 251 H CB 0.074 29.594 29.762 -0.402 0.000 1.382 251 H HN 0.292 nan 8.280 nan 0.000 0.535 252 W N 0.375 121.259 121.300 -0.694 0.000 3.177 252 W HA 0.299 4.959 4.660 -0.001 0.000 0.309 252 W C 0.593 176.902 176.519 -0.350 0.000 1.224 252 W CA -0.565 56.367 57.345 -0.689 0.000 1.718 252 W CB -0.397 28.649 29.460 -0.690 0.000 1.078 252 W HN -0.020 nan 8.180 nan 0.000 0.618 253 R N 1.985 122.398 120.500 -0.145 0.000 2.248 253 R HA 0.219 4.559 4.340 -0.001 0.000 0.337 253 R C -0.033 176.192 176.300 -0.124 0.000 1.085 253 R CA -0.268 55.737 56.100 -0.158 0.000 0.934 253 R CB -0.188 29.983 30.300 -0.216 0.000 1.034 253 R HN -0.030 nan 8.270 nan 0.000 0.465 254 I N 6.077 126.584 120.570 -0.104 0.000 2.587 254 I HA -0.075 4.095 4.170 -0.001 0.000 0.284 254 I C 1.023 177.077 176.117 -0.105 0.000 1.134 254 I CA 0.094 61.335 61.300 -0.099 0.000 1.410 254 I CB 0.572 38.502 38.000 -0.116 0.000 1.392 254 I HN 0.746 nan 8.210 nan 0.000 0.545 255 K N 6.093 126.432 120.400 -0.101 0.000 1.972 255 K HA -0.240 4.080 4.320 -0.001 0.000 0.227 255 K C 1.891 178.441 176.600 -0.084 0.000 1.046 255 K CA 0.987 57.211 56.287 -0.104 0.000 1.013 255 K CB -0.622 31.825 32.500 -0.089 0.000 0.741 255 K HN 0.572 nan 8.250 nan 0.000 0.446 256 R N 0.994 121.455 120.500 -0.064 0.000 2.162 256 R HA -0.150 4.189 4.340 -0.001 0.000 0.245 256 R C -0.620 175.666 176.300 -0.023 0.000 1.129 256 R CA 2.000 58.084 56.100 -0.027 0.000 0.940 256 R CB -2.007 28.296 30.300 0.006 0.000 0.875 256 R HN 0.265 nan 8.270 nan 0.000 0.437 257 P HA 0.030 nan 4.420 nan 0.000 0.239 257 P C -0.110 177.185 177.300 -0.008 0.000 1.184 257 P CA 1.151 64.249 63.100 -0.003 0.000 0.760 257 P CB -0.106 31.576 31.700 -0.030 0.000 0.884 258 N N -1.195 117.487 118.700 -0.030 0.000 2.273 258 N HA 0.149 4.888 4.740 -0.001 0.000 0.192 258 N C 1.648 177.144 175.510 -0.023 0.000 1.132 258 N CA 0.340 53.385 53.050 -0.009 0.000 0.887 258 N CB -0.332 38.169 38.487 0.024 0.000 1.048 258 N HN -0.111 nan 8.380 nan 0.000 0.490 259 A N 2.330 125.115 122.820 -0.059 0.000 1.896 259 A HA -0.156 4.163 4.320 -0.001 0.000 0.220 259 A C -0.429 177.090 177.584 -0.108 0.000 1.206 259 A CA 1.705 53.697 52.037 -0.076 0.000 0.647 259 A CB -1.590 17.339 19.000 -0.117 0.000 0.828 259 A HN 0.140 nan 8.150 nan 0.000 0.455 260 P HA -0.242 nan 4.420 nan 0.000 0.212 260 P C 1.916 179.140 177.300 -0.126 0.000 1.174 260 P CA 2.312 65.252 63.100 -0.266 0.000 0.934 260 P CB -0.598 31.023 31.700 -0.131 0.000 0.791 261 V N -0.962 118.855 119.914 -0.162 0.000 2.370 261 V HA -0.228 3.891 4.120 -0.001 0.000 0.252 261 V C 2.014 177.757 176.094 -0.586 0.000 1.068 261 V CA 2.002 64.045 62.300 -0.429 0.000 1.061 261 V CB -1.466 29.977 31.823 -0.633 0.000 0.656 261 V HN 0.214 nan 8.190 nan 0.000 0.455 262 W N 0.265 121.274 121.300 -0.485 0.000 2.402 262 W HA -0.100 4.560 4.660 -0.001 0.000 0.286 262 W C 2.297 178.793 176.519 -0.038 0.000 1.221 262 W CA 1.878 59.078 57.345 -0.242 0.000 1.257 262 W CB -0.081 29.329 29.460 -0.083 0.000 1.120 262 W HN 0.311 nan 8.180 nan 0.000 0.551 263 I N 1.326 121.976 120.570 0.133 0.000 2.208 263 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 263 I C 2.376 178.660 176.117 0.278 0.000 1.097 263 I CA 2.142 63.512 61.300 0.117 0.000 1.363 263 I CB -1.581 36.279 38.000 -0.233 0.000 1.051 263 I HN 0.097 nan 8.210 nan 0.000 0.413 264 E N -0.050 120.318 120.200 0.280 0.000 2.435 264 E HA -0.193 4.156 4.350 -0.001 0.000 0.195 264 E C 1.917 178.670 176.600 0.254 0.000 1.029 264 E CA 0.345 56.920 56.400 0.291 0.000 0.865 264 E CB -0.196 29.650 29.700 0.244 0.000 0.833 264 E HN 0.432 nan 8.360 nan 0.000 0.510 265 W N 0.707 121.997 121.300 -0.016 0.000 2.453 265 W HA -0.049 4.611 4.660 -0.001 0.000 0.289 265 W C 2.119 178.568 176.519 -0.118 0.000 1.215 265 W CA 0.525 57.774 57.345 -0.161 0.000 1.297 265 W CB -1.268 27.951 29.460 -0.402 0.000 1.113 265 W HN 0.239 nan 8.180 nan 0.000 0.551 266 Y N 1.224 121.541 120.300 0.029 0.000 2.293 266 Y HA -0.197 4.353 4.550 -0.001 0.000 0.291 266 Y C 2.811 178.748 175.900 0.061 0.000 1.137 266 Y CA 2.263 60.375 58.100 0.020 0.000 1.202 266 Y CB -0.360 38.156 38.460 0.092 0.000 0.990 266 Y HN -0.229 nan 8.280 nan 0.000 0.537 267 R N 1.194 121.904 120.500 0.350 0.000 2.082 267 R HA -0.188 4.151 4.340 -0.001 0.000 0.234 267 R C 1.795 178.141 176.300 0.076 0.000 1.136 267 R CA 2.179 58.423 56.100 0.240 0.000 0.935 267 R CB -0.333 30.106 30.300 0.232 0.000 0.842 267 R HN 0.329 nan 8.270 nan 0.000 0.430 268 K N 0.506 120.950 120.400 0.073 0.000 2.585 268 K HA -0.124 4.195 4.320 -0.001 0.000 0.194 268 K C 0.858 177.417 176.600 -0.068 0.000 1.037 268 K CA 0.241 56.532 56.287 0.007 0.000 0.964 268 K CB -0.203 32.311 32.500 0.023 0.000 0.787 268 K HN 0.043 nan 8.250 nan 0.000 0.488 269 R N 1.226 121.652 120.500 -0.124 0.000 2.594 269 R HA 0.026 4.365 4.340 -0.001 0.000 0.272 269 R C -1.894 174.294 176.300 -0.186 0.000 1.074 269 R CA -1.130 54.847 56.100 -0.206 0.000 1.105 269 R CB 0.499 30.585 30.300 -0.356 0.000 1.008 269 R HN -0.172 nan 8.270 nan 0.000 0.472 270 P HA -0.081 nan 4.420 nan 0.000 0.209 270 P C 0.333 177.561 177.300 -0.120 0.000 1.201 270 P CA 0.842 63.875 63.100 -0.113 0.000 0.911 270 P CB -0.264 31.381 31.700 -0.091 0.000 0.758 271 D N 0.589 120.920 120.400 -0.113 0.000 2.347 271 D HA -0.247 4.392 4.640 -0.001 0.000 0.189 271 D C 1.058 177.290 176.300 -0.113 0.000 1.020 271 D CA 0.989 54.935 54.000 -0.090 0.000 0.875 271 D CB -1.295 39.457 40.800 -0.081 0.000 0.928 271 D HN 0.000 nan 8.370 nan 0.000 0.454 272 M N 0.827 120.286 119.600 -0.234 0.000 2.108 272 M HA -0.228 4.251 4.480 -0.001 0.000 0.494 272 M C -0.368 175.866 176.300 -0.110 0.000 1.091 272 M CA 0.857 55.928 55.300 -0.381 0.000 0.586 272 M CB -0.385 31.936 32.600 -0.466 0.000 1.870 272 M HN 0.498 nan 8.290 nan 0.000 0.573 273 N N 6.938 125.679 118.700 0.068 0.000 2.370 273 N HA 0.526 5.266 4.740 -0.001 0.000 0.303 273 N C -2.653 173.011 175.510 0.257 0.000 1.103 273 N CA -1.609 51.537 53.050 0.161 0.000 0.848 273 N CB 1.964 40.556 38.487 0.174 0.000 1.235 273 N HN 0.304 nan 8.380 nan 0.000 0.496 274 P HA 0.049 nan 4.420 nan 0.000 0.218 274 P C 1.530 178.913 177.300 0.138 0.000 1.151 274 P CA 0.503 63.701 63.100 0.164 0.000 0.850 274 P CB 0.291 32.057 31.700 0.110 0.000 0.801 275 V N 0.182 120.163 119.914 0.111 0.000 2.363 275 V HA -0.250 3.870 4.120 -0.001 0.000 0.254 275 V C 2.485 178.634 176.094 0.092 0.000 1.074 275 V CA 1.967 64.321 62.300 0.091 0.000 1.069 275 V CB -1.582 30.291 31.823 0.083 0.000 0.659 275 V HN -0.055 nan 8.190 nan 0.000 0.455 276 V N -0.676 119.305 119.914 0.112 0.000 2.261 276 V HA -0.127 3.993 4.120 -0.001 0.000 0.235 276 V C 2.292 178.398 176.094 0.020 0.000 1.044 276 V CA 1.526 63.863 62.300 0.061 0.000 1.007 276 V CB -0.731 31.151 31.823 0.099 0.000 0.647 276 V HN 0.427 nan 8.190 nan 0.000 0.462 277 L N 1.186 122.482 121.223 0.121 0.000 2.119 277 L HA -0.325 4.014 4.340 -0.001 0.000 0.226 277 L C 2.574 179.511 176.870 0.110 0.000 1.093 277 L CA 3.343 58.274 54.840 0.151 0.000 0.806 277 L CB -0.954 41.345 42.059 0.400 0.000 0.902 277 L HN 0.836 nan 8.230 nan 0.000 0.444 278 E N -0.216 120.056 120.200 0.119 0.000 2.076 278 E HA -0.229 4.121 4.350 -0.001 0.000 0.190 278 E C 2.180 178.820 176.600 0.067 0.000 0.979 278 E CA 1.308 57.770 56.400 0.103 0.000 0.807 278 E CB -0.911 28.849 29.700 0.100 0.000 0.761 278 E HN 0.407 nan 8.360 nan 0.000 0.454 279 L N 1.232 122.486 121.223 0.052 0.000 2.012 279 L HA -0.047 4.292 4.340 -0.001 0.000 0.210 279 L C 2.411 179.287 176.870 0.010 0.000 1.073 279 L CA 2.462 57.320 54.840 0.030 0.000 0.748 279 L CB -1.276 40.811 42.059 0.047 0.000 0.891 279 L HN 0.230 nan 8.230 nan 0.000 0.431 280 A N 0.179 122.998 122.820 -0.002 0.000 1.873 280 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 280 A C 2.333 179.880 177.584 -0.062 0.000 1.193 280 A CA 2.546 54.559 52.037 -0.040 0.000 0.629 280 A CB -1.058 17.875 19.000 -0.112 0.000 0.826 280 A HN 0.578 nan 8.150 nan 0.000 0.447 281 I N -1.099 119.472 120.570 0.001 0.000 2.179 281 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 281 I C 2.489 178.576 176.117 -0.050 0.000 1.088 281 I CA 1.427 62.752 61.300 0.042 0.000 1.357 281 I CB -0.379 37.766 38.000 0.242 0.000 1.051 281 I HN 0.418 nan 8.210 nan 0.000 0.409 282 L N 1.215 122.414 121.223 -0.039 0.000 1.989 282 L HA -0.278 4.062 4.340 -0.001 0.000 0.211 282 L C 2.023 178.783 176.870 -0.183 0.000 1.071 282 L CA 2.217 56.989 54.840 -0.114 0.000 0.749 282 L CB -0.795 41.263 42.059 -0.002 0.000 0.890 282 L HN 0.197 nan 8.230 nan 0.000 0.431 283 D N -0.879 119.460 120.400 -0.101 0.000 2.103 283 D HA -0.285 4.355 4.640 -0.001 0.000 0.190 283 D C 2.345 178.543 176.300 -0.170 0.000 0.997 283 D CA 1.913 55.864 54.000 -0.081 0.000 0.833 283 D CB -0.290 40.522 40.800 0.020 0.000 0.961 283 D HN 0.373 nan 8.370 nan 0.000 0.447 284 L N 0.496 121.608 121.223 -0.184 0.000 2.040 284 L HA -0.340 3.999 4.340 -0.001 0.000 0.228 284 L C 1.869 178.565 176.870 -0.289 0.000 1.092 284 L CA 1.934 56.629 54.840 -0.242 0.000 0.805 284 L CB -0.501 41.370 42.059 -0.314 0.000 0.905 284 L HN 0.192 nan 8.230 nan 0.000 0.443 285 N N -0.297 118.179 118.700 -0.373 0.000 2.244 285 N HA -0.125 4.614 4.740 -0.001 0.000 0.183 285 N C 1.828 177.059 175.510 -0.464 0.000 1.016 285 N CA 1.771 54.498 53.050 -0.538 0.000 0.866 285 N CB -0.328 37.441 38.487 -1.197 0.000 0.980 285 N HN 0.474 nan 8.380 nan 0.000 0.430 286 I N 0.872 121.218 120.570 -0.373 0.000 2.361 286 I HA -0.209 3.960 4.170 -0.001 0.000 0.251 286 I C 1.985 177.975 176.117 -0.211 0.000 1.133 286 I CA 0.769 61.947 61.300 -0.203 0.000 1.413 286 I CB -0.163 37.777 38.000 -0.100 0.000 1.073 286 I HN -0.066 nan 8.210 nan 0.000 0.424 287 V N -0.819 118.900 119.914 -0.325 0.000 2.446 287 V HA -0.200 3.920 4.120 -0.001 0.000 0.244 287 V C 2.352 178.000 176.094 -0.742 0.000 1.039 287 V CA 1.194 63.169 62.300 -0.542 0.000 1.045 287 V CB -1.068 30.321 31.823 -0.723 0.000 0.681 287 V HN 0.398 nan 8.190 nan 0.000 0.459 288 Q N 0.617 120.083 119.800 -0.557 0.000 2.118 288 Q HA -0.328 4.011 4.340 -0.001 0.000 0.211 288 Q C 2.317 178.266 176.000 -0.086 0.000 0.998 288 Q CA 2.584 58.223 55.803 -0.274 0.000 0.872 288 Q CB -0.386 28.299 28.738 -0.088 0.000 0.925 288 Q HN 0.676 nan 8.270 nan 0.000 0.414 289 A N 0.596 123.376 122.820 -0.066 0.000 1.859 289 A HA -0.331 3.988 4.320 -0.001 0.000 0.217 289 A C 1.964 179.568 177.584 0.033 0.000 1.198 289 A CA 2.125 54.184 52.037 0.036 0.000 0.629 289 A CB -1.038 17.997 19.000 0.058 0.000 0.830 289 A HN 0.524 nan 8.150 nan 0.000 0.446 290 Q N -0.996 118.781 119.800 -0.039 0.000 2.096 290 Q HA -0.169 4.171 4.340 -0.001 0.000 0.204 290 Q C 1.660 177.748 176.000 0.146 0.000 0.982 290 Q CA 2.032 57.839 55.803 0.007 0.000 0.850 290 Q CB -0.646 28.045 28.738 -0.078 0.000 0.901 290 Q HN 0.518 nan 8.270 nan 0.000 0.422 291 F N 1.097 121.090 119.950 0.071 0.000 2.025 291 F HA -0.231 4.295 4.527 -0.001 0.000 0.297 291 F C 2.375 178.171 175.800 -0.007 0.000 1.132 291 F CA 1.786 59.865 58.000 0.132 0.000 1.191 291 F CB -1.378 37.707 39.000 0.142 0.000 0.963 291 F HN 0.273 nan 8.300 nan 0.000 0.481 292 Q N -0.147 119.781 119.800 0.213 0.000 2.182 292 Q HA -0.263 4.077 4.340 -0.001 0.000 0.213 292 Q C 2.050 178.070 176.000 0.034 0.000 1.000 292 Q CA 1.989 57.849 55.803 0.096 0.000 0.889 292 Q CB -0.353 28.471 28.738 0.144 0.000 0.932 292 Q HN 0.473 nan 8.270 nan 0.000 0.415 293 E N 0.779 121.021 120.200 0.071 0.000 2.031 293 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 293 E C 1.896 178.506 176.600 0.018 0.000 0.994 293 E CA 1.315 57.748 56.400 0.055 0.000 0.800 293 E CB -0.222 29.522 29.700 0.074 0.000 0.752 293 E HN 0.562 nan 8.360 nan 0.000 0.447 294 E N 1.262 121.477 120.200 0.025 0.000 2.118 294 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 294 E C 2.416 178.836 176.600 -0.300 0.000 0.992 294 E CA 0.415 56.809 56.400 -0.010 0.000 0.804 294 E CB -0.289 29.532 29.700 0.201 0.000 0.741 294 E HN 0.178 nan 8.360 nan 0.000 0.458 295 L N 1.429 122.315 121.223 -0.561 0.000 1.956 295 L HA -0.294 4.045 4.340 -0.001 0.000 0.216 295 L C 2.398 179.148 176.870 -0.200 0.000 1.073 295 L CA 1.984 56.425 54.840 -0.664 0.000 0.762 295 L CB -0.271 41.525 42.059 -0.438 0.000 0.889 295 L HN 0.102 nan 8.230 nan 0.000 0.433 296 K N -0.602 119.769 120.400 -0.049 0.000 2.034 296 K HA -0.253 4.067 4.320 -0.001 0.000 0.214 296 K C 1.966 178.676 176.600 0.184 0.000 1.051 296 K CA 1.748 58.106 56.287 0.120 0.000 0.931 296 K CB -0.275 32.293 32.500 0.113 0.000 0.715 296 K HN 0.285 nan 8.250 nan 0.000 0.446 297 E N 0.749 121.019 120.200 0.117 0.000 2.086 297 E HA -0.196 4.153 4.350 -0.001 0.000 0.200 297 E C 2.208 178.940 176.600 0.220 0.000 1.012 297 E CA 1.364 57.854 56.400 0.149 0.000 0.812 297 E CB -0.206 29.562 29.700 0.113 0.000 0.743 297 E HN 0.178 nan 8.360 nan 0.000 0.453 298 S N -0.196 115.622 115.700 0.196 0.000 2.383 298 S HA -0.070 4.400 4.470 -0.001 0.000 0.227 298 S C 1.666 176.566 174.600 0.500 0.000 1.026 298 S CA 0.578 58.956 58.200 0.296 0.000 0.981 298 S CB -0.293 63.024 63.200 0.195 0.000 0.818 298 S HN 0.319 nan 8.310 nan 0.000 0.472 299 F N 2.342 122.418 119.950 0.211 0.000 2.075 299 F HA -0.142 4.385 4.527 -0.001 0.000 0.297 299 F C 2.669 178.624 175.800 0.259 0.000 1.113 299 F CA 1.409 59.555 58.000 0.243 0.000 1.218 299 F CB -0.132 38.948 39.000 0.134 0.000 0.984 299 F HN 0.051 nan 8.300 nan 0.000 0.472 300 R N -0.134 120.514 120.500 0.247 0.000 2.119 300 R HA -0.303 4.036 4.340 -0.001 0.000 0.246 300 R C 2.200 178.558 176.300 0.096 0.000 1.146 300 R CA 2.515 58.672 56.100 0.095 0.000 0.962 300 R CB -1.112 29.276 30.300 0.147 0.000 0.863 300 R HN 0.617 nan 8.270 nan 0.000 0.442 301 W N 0.443 121.784 121.300 0.068 0.000 2.379 301 W HA -0.198 4.461 4.660 -0.001 0.000 0.307 301 W C 2.111 178.649 176.519 0.032 0.000 1.200 301 W CA 1.320 58.703 57.345 0.062 0.000 1.297 301 W CB -0.936 28.613 29.460 0.149 0.000 1.140 301 W HN 0.247 nan 8.180 nan 0.000 0.507 302 W N 1.840 123.059 121.300 -0.136 0.000 2.302 302 W HA -0.354 4.305 4.660 -0.001 0.000 0.320 302 W C 2.334 178.446 176.519 -0.680 0.000 1.241 302 W CA 2.090 59.117 57.345 -0.530 0.000 1.264 302 W CB -0.571 28.863 29.460 -0.043 0.000 1.154 302 W HN -0.074 nan 8.180 nan 0.000 0.483 303 R N -0.082 120.034 120.500 -0.641 0.000 2.105 303 R HA -0.245 4.094 4.340 -0.001 0.000 0.239 303 R C 1.959 177.889 176.300 -0.615 0.000 1.135 303 R CA 2.089 57.780 56.100 -0.681 0.000 0.967 303 R CB -0.714 29.238 30.300 -0.579 0.000 0.861 303 R HN 0.182 nan 8.270 nan 0.000 0.442 304 N N -0.467 117.900 118.700 -0.555 0.000 2.188 304 N HA -0.138 4.602 4.740 -0.001 0.000 0.184 304 N C 1.709 176.836 175.510 -0.638 0.000 1.018 304 N CA 1.858 54.626 53.050 -0.469 0.000 0.858 304 N CB -0.103 38.190 38.487 -0.323 0.000 0.989 304 N HN 0.257 nan 8.380 nan 0.000 0.426 305 T N -2.576 111.361 114.554 -1.030 0.000 2.833 305 T HA -0.027 4.322 4.350 -0.001 0.000 0.269 305 T C 1.413 175.439 174.700 -1.124 0.000 1.054 305 T CA 1.131 62.411 62.100 -1.366 0.000 1.135 305 T CB -1.093 66.352 68.868 -2.371 0.000 0.869 305 T HN 0.341 nan 8.240 nan 0.000 0.466 306 G N 0.995 109.212 108.800 -0.972 0.000 2.371 306 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.299 306 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.299 306 G C 0.225 174.838 174.900 -0.478 0.000 1.014 306 G CA 0.353 45.078 45.100 -0.625 0.000 1.097 306 G HN 0.442 nan 8.290 nan 0.000 0.512 307 F N -0.134 119.373 119.950 -0.739 0.000 2.387 307 F HA 0.045 4.571 4.527 -0.001 0.000 0.294 307 F C 2.752 178.283 175.800 -0.448 0.000 1.093 307 F CA 0.552 58.224 58.000 -0.547 0.000 1.420 307 F CB -0.756 37.886 39.000 -0.597 0.000 1.086 307 F HN 0.206 nan 8.300 nan 0.000 0.531 308 V N 0.869 120.571 119.914 -0.355 0.000 2.353 308 V HA -0.346 3.773 4.120 -0.001 0.000 0.260 308 V C 1.890 177.914 176.094 -0.117 0.000 1.091 308 V CA 2.600 64.778 62.300 -0.203 0.000 1.088 308 V CB -1.205 30.439 31.823 -0.299 0.000 0.672 308 V HN 0.522 nan 8.190 nan 0.000 0.455 309 E N -0.844 119.269 120.200 -0.146 0.000 2.467 309 E HA 0.080 4.429 4.350 -0.001 0.000 0.213 309 E C 1.829 178.376 176.600 -0.089 0.000 0.823 309 E CA -0.096 56.245 56.400 -0.098 0.000 1.233 309 E CB -0.116 29.529 29.700 -0.092 0.000 1.233 309 E HN 0.393 nan 8.360 nan 0.000 0.585 310 K N 0.494 120.840 120.400 -0.090 0.000 2.444 310 K HA 0.264 4.584 4.320 -0.001 0.000 0.193 310 K C -0.020 176.545 176.600 -0.058 0.000 1.024 310 K CA 0.230 56.490 56.287 -0.046 0.000 1.077 310 K CB 0.681 33.171 32.500 -0.017 0.000 0.833 310 K HN 0.183 nan 8.250 nan 0.000 0.517 311 L N 0.841 121.961 121.223 -0.171 0.000 2.408 311 L HA 0.199 4.538 4.340 -0.001 0.000 0.260 311 L C -3.014 173.425 176.870 -0.719 0.000 1.305 311 L CA -0.966 53.633 54.840 -0.402 0.000 0.850 311 L CB 1.731 43.575 42.059 -0.358 0.000 1.004 311 L HN -0.198 nan 8.230 nan 0.000 0.506 312 P HA 0.360 nan 4.420 nan 0.000 0.201 312 P C -0.274 176.822 177.300 -0.340 0.000 1.874 312 P CA -0.195 62.663 63.100 -0.403 0.000 1.041 312 P CB -0.335 31.276 31.700 -0.149 0.000 1.827 313 F N -1.388 118.473 119.950 -0.148 0.000 2.727 313 F HA 0.554 5.080 4.527 -0.001 0.000 0.302 313 F C 1.004 176.896 175.800 0.153 0.000 1.107 313 F CA -0.965 56.996 58.000 -0.065 0.000 1.277 313 F CB -0.797 38.014 39.000 -0.315 0.000 1.079 313 F HN -0.040 nan 8.300 nan 0.000 0.594 314 A N 3.881 126.587 122.820 -0.191 0.000 2.524 314 A HA 0.350 4.670 4.320 -0.001 0.000 0.250 314 A C 0.703 178.251 177.584 -0.060 0.000 1.078 314 A CA -0.625 51.323 52.037 -0.149 0.000 0.761 314 A CB 0.052 18.824 19.000 -0.381 0.000 1.012 314 A HN 0.386 nan 8.150 nan 0.000 0.500 315 R N 2.412 122.729 120.500 -0.305 0.000 2.490 315 R HA 0.270 4.610 4.340 -0.001 0.000 0.280 315 R C -1.152 175.164 176.300 0.027 0.000 1.077 315 R CA -0.432 55.515 56.100 -0.255 0.000 1.065 315 R CB 0.478 30.412 30.300 -0.609 0.000 1.003 315 R HN 0.632 nan 8.270 nan 0.000 0.470 316 D N 2.321 122.813 120.400 0.154 0.000 2.280 316 D HA 0.185 4.825 4.640 -0.001 0.000 0.236 316 D C -0.238 176.152 176.300 0.150 0.000 1.082 316 D CA -0.760 53.397 54.000 0.261 0.000 0.834 316 D CB 0.757 41.812 40.800 0.425 0.000 1.100 316 D HN 0.699 nan 8.370 nan 0.000 0.486 317 R N 4.287 124.765 120.500 -0.037 0.000 2.522 317 R HA 0.087 4.426 4.340 -0.001 0.000 0.418 317 R C 1.012 177.235 176.300 -0.129 0.000 0.973 317 R CA -0.612 55.484 56.100 -0.006 0.000 1.096 317 R CB -0.334 29.934 30.300 -0.053 0.000 1.449 317 R HN 0.337 nan 8.270 nan 0.000 0.622 318 L N 1.094 122.119 121.223 -0.329 0.000 2.151 318 L HA -0.256 4.083 4.340 -0.001 0.000 0.219 318 L C 1.785 178.629 176.870 -0.044 0.000 1.083 318 L CA 1.949 56.626 54.840 -0.271 0.000 0.782 318 L CB -0.432 41.543 42.059 -0.140 0.000 0.891 318 L HN 0.203 nan 8.230 nan 0.000 0.439 319 V N -0.161 119.710 119.914 -0.071 0.000 2.244 319 V HA -0.277 3.843 4.120 -0.001 0.000 0.244 319 V C 2.460 178.484 176.094 -0.117 0.000 1.042 319 V CA 1.912 64.099 62.300 -0.190 0.000 1.006 319 V CB -0.439 31.065 31.823 -0.532 0.000 0.641 319 V HN 0.383 nan 8.190 nan 0.000 0.446 320 E N -0.560 119.576 120.200 -0.107 0.000 2.049 320 E HA -0.269 4.080 4.350 -0.001 0.000 0.198 320 E C 2.160 178.861 176.600 0.168 0.000 1.007 320 E CA 1.940 58.343 56.400 0.006 0.000 0.809 320 E CB -0.912 28.775 29.700 -0.022 0.000 0.749 320 E HN 0.539 nan 8.360 nan 0.000 0.450 321 C N -0.093 119.268 119.300 0.102 0.000 2.401 321 C HA -0.162 4.297 4.460 -0.001 0.000 0.286 321 C C 2.332 177.417 174.990 0.159 0.000 1.332 321 C CA 1.019 60.142 59.018 0.174 0.000 1.795 321 C CB -0.990 26.770 27.740 0.033 0.000 1.922 321 C HN 0.521 nan 8.230 nan 0.000 0.520 322 Y N -1.562 118.752 120.300 0.024 0.000 2.481 322 Y HA 0.170 4.719 4.550 -0.001 0.000 0.258 322 Y C 1.694 177.565 175.900 -0.049 0.000 1.103 322 Y CA 0.405 58.491 58.100 -0.024 0.000 1.287 322 Y CB -0.588 37.843 38.460 -0.048 0.000 1.108 322 Y HN 0.267 nan 8.280 nan 0.000 0.529 323 F N -0.495 119.310 119.950 -0.241 0.000 2.502 323 F HA -0.007 4.520 4.527 -0.001 0.000 0.298 323 F C 1.115 176.651 175.800 -0.439 0.000 1.111 323 F CA 0.793 58.531 58.000 -0.438 0.000 1.445 323 F CB -0.449 38.307 39.000 -0.406 0.000 1.081 323 F HN 0.106 nan 8.300 nan 0.000 0.558 324 W N 1.449 122.342 121.300 -0.678 0.000 2.354 324 W HA -0.169 4.490 4.660 -0.001 0.000 0.315 324 W C 2.143 178.256 176.519 -0.677 0.000 1.206 324 W CA 2.265 59.205 57.345 -0.674 0.000 1.290 324 W CB -1.040 28.203 29.460 -0.363 0.000 1.152 324 W HN -0.003 nan 8.180 nan 0.000 0.489 325 N N -1.098 117.379 118.700 -0.372 0.000 2.588 325 N HA -0.153 4.586 4.740 -0.001 0.000 0.190 325 N C 1.384 176.565 175.510 -0.547 0.000 1.094 325 N CA 1.157 53.952 53.050 -0.425 0.000 0.921 325 N CB -0.294 37.925 38.487 -0.446 0.000 0.959 325 N HN 0.040 nan 8.380 nan 0.000 0.448 326 T N -1.090 113.009 114.554 -0.758 0.000 3.023 326 T HA 0.034 4.383 4.350 -0.001 0.000 0.266 326 T C 1.670 176.071 174.700 -0.499 0.000 1.093 326 T CA 1.138 62.739 62.100 -0.832 0.000 1.129 326 T CB -0.006 68.307 68.868 -0.925 0.000 0.899 326 T HN 0.463 nan 8.240 nan 0.000 0.491 327 G N 0.128 108.648 108.800 -0.466 0.000 2.853 327 G HA2 0.125 4.085 3.960 -0.001 0.000 0.202 327 G HA3 0.125 4.085 3.960 -0.001 0.000 0.202 327 G C 1.388 176.163 174.900 -0.207 0.000 1.118 327 G CA -0.078 44.837 45.100 -0.308 0.000 0.831 327 G HN 0.461 nan 8.290 nan 0.000 0.613 328 I N 1.170 121.622 120.570 -0.196 0.000 2.300 328 I HA -0.114 4.055 4.170 -0.001 0.000 0.252 328 I C 0.620 176.662 176.117 -0.125 0.000 1.119 328 I CA 1.261 62.476 61.300 -0.141 0.000 1.384 328 I CB -0.034 37.890 38.000 -0.127 0.000 1.062 328 I HN 0.079 nan 8.210 nan 0.000 0.426 329 I N 0.303 120.804 120.570 -0.116 0.000 2.833 329 I HA 0.113 4.282 4.170 -0.001 0.000 0.286 329 I C 0.817 176.934 176.117 -0.001 0.000 1.287 329 I CA -0.151 61.127 61.300 -0.037 0.000 1.046 329 I CB 0.626 38.623 38.000 -0.003 0.000 1.612 329 I HN 0.068 nan 8.210 nan 0.000 0.585 330 E N 2.694 122.888 120.200 -0.011 0.000 2.265 330 E HA -0.052 4.298 4.350 -0.001 0.000 0.196 330 E C -1.429 175.176 176.600 0.009 0.000 0.996 330 E CA 0.646 57.048 56.400 0.003 0.000 0.832 330 E CB -0.621 29.067 29.700 -0.020 0.000 0.756 330 E HN 0.464 nan 8.360 nan 0.000 0.491 331 P HA 0.022 nan 4.420 nan 0.000 0.273 331 P C 0.642 177.876 177.300 -0.109 0.000 1.428 331 P CA 0.049 63.106 63.100 -0.071 0.000 0.995 331 P CB 0.251 31.904 31.700 -0.078 0.000 1.286 332 R N 5.015 125.459 120.500 -0.093 0.000 2.234 332 R HA -0.296 4.043 4.340 -0.001 0.000 0.262 332 R C 1.347 177.594 176.300 -0.088 0.000 1.150 332 R CA 2.000 58.059 56.100 -0.067 0.000 0.981 332 R CB -1.451 28.780 30.300 -0.116 0.000 0.899 332 R HN 0.444 nan 8.270 nan 0.000 0.458 333 Q N 1.587 121.265 119.800 -0.204 0.000 2.439 333 Q HA -0.150 4.189 4.340 -0.001 0.000 0.211 333 Q C -0.137 175.767 176.000 -0.160 0.000 0.978 333 Q CA 1.477 57.156 55.803 -0.207 0.000 0.897 333 Q CB -0.571 28.000 28.738 -0.278 0.000 0.956 333 Q HN 0.752 nan 8.270 nan 0.000 0.483 334 H N 0.456 119.539 119.070 0.022 0.000 2.640 334 H HA 0.423 4.978 4.556 -0.001 0.000 0.220 334 H C 1.133 176.495 175.328 0.058 0.000 1.852 334 H CA -0.109 55.958 56.048 0.032 0.000 1.275 334 H CB 0.648 30.422 29.762 0.020 0.000 1.675 334 H HN 0.399 nan 8.280 nan 0.000 0.523 335 A N 1.030 123.948 122.820 0.163 0.000 1.832 335 A HA -0.202 4.117 4.320 -0.001 0.000 0.214 335 A C 2.452 180.134 177.584 0.163 0.000 1.200 335 A CA 1.473 53.609 52.037 0.164 0.000 0.610 335 A CB -0.803 18.278 19.000 0.135 0.000 0.842 335 A HN 0.610 nan 8.150 nan 0.000 0.444 336 S N 0.593 116.377 115.700 0.139 0.000 2.407 336 S HA -0.167 4.302 4.470 -0.001 0.000 0.235 336 S C 1.973 176.650 174.600 0.130 0.000 1.036 336 S CA 1.691 59.967 58.200 0.128 0.000 1.013 336 S CB -0.815 62.448 63.200 0.106 0.000 0.820 336 S HN 1.002 nan 8.310 nan 0.000 0.476 337 A N 1.775 124.669 122.820 0.125 0.000 1.930 337 A HA 0.073 4.392 4.320 -0.001 0.000 0.217 337 A C 2.359 179.997 177.584 0.090 0.000 1.175 337 A CA 1.357 53.451 52.037 0.095 0.000 0.627 337 A CB -0.543 18.486 19.000 0.047 0.000 0.815 337 A HN 0.500 nan 8.150 nan 0.000 0.443 338 R N -0.998 119.565 120.500 0.106 0.000 2.090 338 R HA 0.051 4.391 4.340 -0.001 0.000 0.228 338 R C 1.779 178.199 176.300 0.200 0.000 1.110 338 R CA 1.095 57.244 56.100 0.082 0.000 0.973 338 R CB -0.342 30.020 30.300 0.103 0.000 0.869 338 R HN 0.520 nan 8.270 nan 0.000 0.440 339 I N 0.270 120.976 120.570 0.226 0.000 2.133 339 I HA -0.270 3.899 4.170 -0.001 0.000 0.238 339 I C 2.428 178.636 176.117 0.151 0.000 1.074 339 I CA 1.393 62.825 61.300 0.221 0.000 1.342 339 I CB -0.290 37.810 38.000 0.167 0.000 1.053 339 I HN 0.197 nan 8.210 nan 0.000 0.404 340 M N -0.510 119.178 119.600 0.147 0.000 2.260 340 M HA -0.266 4.213 4.480 -0.001 0.000 0.261 340 M C 1.935 178.295 176.300 0.099 0.000 1.066 340 M CA 1.745 57.159 55.300 0.191 0.000 1.082 340 M CB -0.036 32.713 32.600 0.247 0.000 1.388 340 M HN 0.222 nan 8.290 nan 0.000 0.419 341 M N -0.794 118.842 119.600 0.060 0.000 2.447 341 M HA 0.038 4.518 4.480 -0.001 0.000 0.264 341 M C 2.162 178.420 176.300 -0.069 0.000 1.095 341 M CA 1.046 56.325 55.300 -0.035 0.000 1.125 341 M CB -1.354 31.210 32.600 -0.059 0.000 1.389 341 M HN 0.400 nan 8.290 nan 0.000 0.459 342 G N 1.971 110.794 108.800 0.038 0.000 2.476 342 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.218 342 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.218 342 G C 1.608 176.467 174.900 -0.068 0.000 1.164 342 G CA 0.836 46.006 45.100 0.117 0.000 0.768 342 G HN 0.510 nan 8.290 nan 0.000 0.560 343 K N 0.166 120.379 120.400 -0.312 0.000 2.288 343 K HA 0.118 4.438 4.320 -0.001 0.000 0.201 343 K C 2.296 178.439 176.600 -0.763 0.000 1.048 343 K CA 0.777 56.482 56.287 -0.970 0.000 0.956 343 K CB -0.095 31.334 32.500 -1.786 0.000 0.746 343 K HN 0.279 nan 8.250 nan 0.000 0.461 344 V N 2.053 121.655 119.914 -0.520 0.000 2.446 344 V HA -0.160 3.959 4.120 -0.001 0.000 0.244 344 V C 1.619 177.606 176.094 -0.179 0.000 1.039 344 V CA 1.546 63.584 62.300 -0.437 0.000 1.045 344 V CB -0.725 30.869 31.823 -0.382 0.000 0.681 344 V HN 0.339 nan 8.190 nan 0.000 0.459 345 N N 0.639 119.237 118.700 -0.169 0.000 2.166 345 N HA -0.148 4.591 4.740 -0.001 0.000 0.186 345 N C 1.939 177.441 175.510 -0.013 0.000 1.019 345 N CA 1.244 54.219 53.050 -0.126 0.000 0.856 345 N CB -0.292 38.107 38.487 -0.147 0.000 0.993 345 N HN 0.486 nan 8.380 nan 0.000 0.426 346 A N 1.308 124.132 122.820 0.007 0.000 1.865 346 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 346 A C 2.101 179.852 177.584 0.279 0.000 1.191 346 A CA 1.167 53.274 52.037 0.117 0.000 0.623 346 A CB -0.928 18.253 19.000 0.302 0.000 0.826 346 A HN 0.200 nan 8.150 nan 0.000 0.444 347 L N -0.532 120.882 121.223 0.319 0.000 2.187 347 L HA -0.217 4.122 4.340 -0.001 0.000 0.213 347 L C 2.414 179.438 176.870 0.256 0.000 1.100 347 L CA 1.054 56.078 54.840 0.307 0.000 0.765 347 L CB -0.589 41.504 42.059 0.057 0.000 0.904 347 L HN 0.425 nan 8.230 nan 0.000 0.437 348 I N -0.684 120.036 120.570 0.249 0.000 2.133 348 I HA -0.275 3.895 4.170 -0.001 0.000 0.238 348 I C 2.525 178.746 176.117 0.173 0.000 1.074 348 I CA 1.703 63.162 61.300 0.265 0.000 1.342 348 I CB -0.766 37.304 38.000 0.116 0.000 1.053 348 I HN 0.210 nan 8.210 nan 0.000 0.404 349 T N 0.590 115.194 114.554 0.084 0.000 2.680 349 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 349 T C 1.920 176.662 174.700 0.070 0.000 1.033 349 T CA 1.678 63.797 62.100 0.031 0.000 1.152 349 T CB -0.582 68.350 68.868 0.106 0.000 0.859 349 T HN 0.121 nan 8.240 nan 0.000 0.452 350 V N 1.273 121.271 119.914 0.140 0.000 2.283 350 V HA -0.059 4.060 4.120 -0.001 0.000 0.243 350 V C 2.455 178.642 176.094 0.154 0.000 1.039 350 V CA 1.270 63.636 62.300 0.110 0.000 1.016 350 V CB -0.543 31.306 31.823 0.044 0.000 0.650 350 V HN 0.501 nan 8.190 nan 0.000 0.449 351 I N 0.690 121.383 120.570 0.204 0.000 2.399 351 I HA -0.276 3.894 4.170 -0.001 0.000 0.254 351 I C 2.248 178.479 176.117 0.190 0.000 1.146 351 I CA 2.200 63.691 61.300 0.318 0.000 1.412 351 I CB -0.526 37.743 38.000 0.448 0.000 1.076 351 I HN 0.458 nan 8.210 nan 0.000 0.432 352 D N 0.985 121.348 120.400 -0.061 0.000 2.137 352 D HA -0.187 4.452 4.640 -0.001 0.000 0.202 352 D C 1.812 178.058 176.300 -0.090 0.000 0.970 352 D CA 1.132 54.873 54.000 -0.433 0.000 0.837 352 D CB 0.064 40.646 40.800 -0.363 0.000 0.981 352 D HN 0.113 nan 8.370 nan 0.000 0.475 353 D N -0.035 120.405 120.400 0.066 0.000 2.144 353 D HA -0.123 4.517 4.640 -0.001 0.000 0.199 353 D C 2.228 178.656 176.300 0.213 0.000 0.984 353 D CA 0.534 54.651 54.000 0.196 0.000 0.834 353 D CB -0.154 40.830 40.800 0.307 0.000 0.955 353 D HN 0.370 nan 8.370 nan 0.000 0.465 354 I N -0.018 120.695 120.570 0.237 0.000 2.163 354 I HA -0.331 3.838 4.170 -0.001 0.000 0.243 354 I C 2.153 178.232 176.117 -0.063 0.000 1.085 354 I CA 1.177 62.516 61.300 0.065 0.000 1.347 354 I CB -0.222 37.806 38.000 0.047 0.000 1.044 354 I HN 0.039 nan 8.210 nan 0.000 0.408 355 Y N 1.134 121.402 120.300 -0.054 0.000 2.163 355 Y HA -0.241 4.309 4.550 -0.001 0.000 0.288 355 Y C 1.901 177.717 175.900 -0.140 0.000 1.136 355 Y CA 1.597 59.643 58.100 -0.090 0.000 1.147 355 Y CB -0.294 38.045 38.460 -0.203 0.000 0.987 355 Y HN 0.390 nan 8.280 nan 0.000 0.509 356 D N -1.514 118.866 120.400 -0.034 0.000 2.460 356 D HA 0.153 4.793 4.640 -0.001 0.000 0.229 356 D C 0.455 176.683 176.300 -0.120 0.000 1.170 356 D CA 0.365 54.271 54.000 -0.157 0.000 0.827 356 D CB -0.181 40.522 40.800 -0.161 0.000 0.973 356 D HN 0.160 nan 8.370 nan 0.000 0.496 357 V N -1.106 118.789 119.914 -0.033 0.000 5.865 357 V HA 0.055 4.175 4.120 -0.001 0.000 0.079 357 V C 0.984 177.085 176.094 0.011 0.000 0.839 357 V CA -0.517 61.803 62.300 0.033 0.000 1.257 357 V CB -1.045 30.891 31.823 0.189 0.000 2.236 357 V HN 0.023 nan 8.190 nan 0.000 0.481 358 Y N 2.104 122.283 120.300 -0.202 0.000 1.681 358 Y HA -0.110 4.439 4.550 -0.001 0.000 0.166 358 Y C 1.659 177.387 175.900 -0.287 0.000 0.885 358 Y CA 2.118 59.969 58.100 -0.415 0.000 0.810 358 Y CB -1.200 36.573 38.460 -1.146 0.000 0.765 358 Y HN 0.534 nan 8.280 nan 0.000 0.630 359 G N 0.045 108.745 108.800 -0.168 0.000 2.614 359 G HA2 0.202 4.161 3.960 -0.001 0.000 0.229 359 G HA3 0.202 4.161 3.960 -0.001 0.000 0.229 359 G C -0.025 174.882 174.900 0.013 0.000 1.232 359 G CA 0.214 45.278 45.100 -0.061 0.000 0.857 359 G HN 0.665 nan 8.290 nan 0.000 0.560 360 T N 0.064 114.634 114.554 0.028 0.000 2.888 360 T HA 0.367 4.717 4.350 -0.001 0.000 0.283 360 T C 1.703 176.506 174.700 0.172 0.000 1.013 360 T CA -0.704 61.456 62.100 0.100 0.000 0.938 360 T CB 1.056 69.882 68.868 -0.070 0.000 1.298 360 T HN 0.251 nan 8.240 nan 0.000 0.580 361 L N 0.169 121.389 121.223 -0.006 0.000 2.131 361 L HA -0.011 4.328 4.340 -0.001 0.000 0.206 361 L C 2.752 179.639 176.870 0.028 0.000 1.087 361 L CA 1.200 56.086 54.840 0.078 0.000 0.767 361 L CB -0.301 41.705 42.059 -0.089 0.000 0.917 361 L HN 0.601 nan 8.230 nan 0.000 0.441 362 E N 0.067 120.246 120.200 -0.036 0.000 2.028 362 E HA -0.247 4.103 4.350 -0.001 0.000 0.191 362 E C 1.978 178.572 176.600 -0.011 0.000 0.988 362 E CA 1.220 57.605 56.400 -0.025 0.000 0.799 362 E CB -0.306 29.367 29.700 -0.045 0.000 0.755 362 E HN 0.511 nan 8.360 nan 0.000 0.447 363 E N 0.217 120.403 120.200 -0.023 0.000 2.086 363 E HA -0.214 4.136 4.350 -0.001 0.000 0.200 363 E C 2.079 178.650 176.600 -0.048 0.000 1.012 363 E CA 0.958 57.333 56.400 -0.041 0.000 0.812 363 E CB -0.080 29.601 29.700 -0.032 0.000 0.743 363 E HN 0.026 nan 8.360 nan 0.000 0.453 364 L N 0.858 122.060 121.223 -0.035 0.000 2.005 364 L HA -0.172 4.168 4.340 -0.001 0.000 0.207 364 L C 2.276 179.203 176.870 0.096 0.000 1.072 364 L CA 1.702 56.507 54.840 -0.058 0.000 0.744 364 L CB -0.768 41.258 42.059 -0.056 0.000 0.895 364 L HN 0.021 nan 8.230 nan 0.000 0.433 365 E N -0.758 119.502 120.200 0.100 0.000 2.130 365 E HA -0.300 4.049 4.350 -0.001 0.000 0.196 365 E C 2.223 178.865 176.600 0.069 0.000 0.998 365 E CA 1.542 58.000 56.400 0.097 0.000 0.806 365 E CB -0.094 29.645 29.700 0.065 0.000 0.738 365 E HN 0.530 nan 8.360 nan 0.000 0.459 366 Q N -0.929 118.899 119.800 0.047 0.000 2.046 366 Q HA -0.196 4.143 4.340 -0.001 0.000 0.200 366 Q C 1.969 177.996 176.000 0.045 0.000 0.975 366 Q CA 1.425 57.241 55.803 0.021 0.000 0.836 366 Q CB -0.312 28.424 28.738 -0.003 0.000 0.896 366 Q HN 0.345 nan 8.270 nan 0.000 0.428 367 F N 1.562 121.439 119.950 -0.121 0.000 2.069 367 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 367 F C 2.179 177.945 175.800 -0.057 0.000 1.113 367 F CA 2.071 59.982 58.000 -0.148 0.000 1.214 367 F CB -0.947 37.947 39.000 -0.176 0.000 0.978 367 F HN 0.080 nan 8.300 nan 0.000 0.474 368 T N -0.191 114.444 114.554 0.136 0.000 2.592 368 T HA -0.364 3.986 4.350 -0.001 0.000 0.267 368 T C 1.584 176.259 174.700 -0.043 0.000 1.060 368 T CA 2.235 64.391 62.100 0.094 0.000 1.167 368 T CB -0.780 68.201 68.868 0.188 0.000 0.863 368 T HN 0.445 nan 8.240 nan 0.000 0.431 369 D N 0.288 120.673 120.400 -0.025 0.000 2.219 369 D HA -0.026 4.613 4.640 -0.001 0.000 0.205 369 D C 2.007 178.234 176.300 -0.122 0.000 0.970 369 D CA 0.464 54.434 54.000 -0.052 0.000 0.851 369 D CB -0.299 40.486 40.800 -0.026 0.000 0.943 369 D HN 0.341 nan 8.370 nan 0.000 0.488 370 L N -0.219 120.873 121.223 -0.218 0.000 2.217 370 L HA 0.018 4.358 4.340 -0.001 0.000 0.211 370 L C 2.127 178.717 176.870 -0.466 0.000 1.107 370 L CA 0.695 55.330 54.840 -0.341 0.000 0.783 370 L CB -0.113 41.663 42.059 -0.472 0.000 0.919 370 L HN 0.152 nan 8.230 nan 0.000 0.442 371 I N -0.729 119.554 120.570 -0.479 0.000 2.142 371 I HA -0.312 3.857 4.170 -0.001 0.000 0.240 371 I C 2.724 178.854 176.117 0.021 0.000 1.078 371 I CA 1.103 62.177 61.300 -0.377 0.000 1.343 371 I CB -0.292 37.529 38.000 -0.298 0.000 1.046 371 I HN 0.262 nan 8.210 nan 0.000 0.405 372 R N 0.977 121.489 120.500 0.019 0.000 2.136 372 R HA -0.213 4.126 4.340 -0.001 0.000 0.242 372 R C 1.713 178.092 176.300 0.132 0.000 1.131 372 R CA 1.895 58.048 56.100 0.090 0.000 0.937 372 R CB -0.248 30.071 30.300 0.031 0.000 0.863 372 R HN 0.404 nan 8.270 nan 0.000 0.435 373 R N -0.579 119.962 120.500 0.068 0.000 2.480 373 R HA 0.024 4.363 4.340 -0.001 0.000 0.277 373 R C -0.119 176.302 176.300 0.203 0.000 1.008 373 R CA -0.314 55.850 56.100 0.106 0.000 1.090 373 R CB -0.067 30.257 30.300 0.039 0.000 1.234 373 R HN 0.318 nan 8.270 nan 0.000 0.549 374 W N 2.891 124.208 121.300 0.028 0.000 7.736 374 W HA -0.244 4.415 4.660 -0.001 0.000 0.423 374 W C -1.085 175.500 176.519 0.110 0.000 1.715 374 W CA 0.819 58.253 57.345 0.148 0.000 1.239 374 W CB -0.925 28.642 29.460 0.178 0.000 2.950 374 W HN 0.248 nan 8.180 nan 0.000 1.655 375 D N 2.792 123.185 120.400 -0.010 0.000 2.500 375 D HA 0.124 4.763 4.640 -0.001 0.000 0.219 375 D C 0.890 177.178 176.300 -0.019 0.000 1.137 375 D CA -0.240 53.760 54.000 0.001 0.000 0.946 375 D CB 0.130 40.891 40.800 -0.066 0.000 1.022 375 D HN 0.145 nan 8.370 nan 0.000 0.518 376 I N 2.745 123.417 120.570 0.171 0.000 3.291 376 I HA -0.068 4.101 4.170 -0.001 0.000 0.279 376 I C 1.217 177.410 176.117 0.127 0.000 1.294 376 I CA 0.682 62.124 61.300 0.236 0.000 1.428 376 I CB -0.110 38.071 38.000 0.302 0.000 1.070 376 I HN 0.241 nan 8.210 nan 0.000 0.478 377 N N -0.114 118.634 118.700 0.080 0.000 2.197 377 N HA -0.023 4.717 4.740 -0.001 0.000 0.184 377 N C 1.597 177.122 175.510 0.026 0.000 1.030 377 N CA 1.368 54.450 53.050 0.052 0.000 0.851 377 N CB -0.524 37.989 38.487 0.043 0.000 1.003 377 N HN 0.223 nan 8.380 nan 0.000 0.430 378 S N 1.921 117.620 115.700 -0.002 0.000 2.660 378 S HA 0.065 4.534 4.470 -0.001 0.000 0.228 378 S C 1.704 176.280 174.600 -0.040 0.000 0.966 378 S CA -0.233 57.951 58.200 -0.026 0.000 0.940 378 S CB -0.209 62.960 63.200 -0.051 0.000 0.773 378 S HN 0.226 nan 8.310 nan 0.000 0.535 379 I N 3.420 123.985 120.570 -0.008 0.000 2.103 379 I HA -0.230 3.939 4.170 -0.001 0.000 0.241 379 I C 0.133 176.255 176.117 0.009 0.000 1.036 379 I CA 1.723 63.035 61.300 0.020 0.000 1.300 379 I CB -0.968 37.106 38.000 0.124 0.000 1.010 379 I HN 0.357 nan 8.210 nan 0.000 0.406 380 D N 0.921 121.331 120.400 0.017 0.000 2.374 380 D HA 0.237 4.876 4.640 -0.001 0.000 0.240 380 D C 0.512 176.808 176.300 -0.007 0.000 1.229 380 D CA -0.124 53.881 54.000 0.010 0.000 0.895 380 D CB 1.176 41.986 40.800 0.017 0.000 1.046 380 D HN 0.457 nan 8.370 nan 0.000 0.498 381 Q N 0.747 120.536 119.800 -0.019 0.000 1.246 381 Q HA 0.046 4.385 4.340 -0.001 0.000 0.131 381 Q C -0.519 175.459 176.000 -0.036 0.000 0.609 381 Q CA -0.039 55.748 55.803 -0.026 0.000 0.605 381 Q CB 0.047 28.764 28.738 -0.034 0.000 1.068 381 Q HN 0.539 nan 8.270 nan 0.000 0.325 382 L N 1.304 122.498 121.223 -0.048 0.000 2.431 382 L HA 0.656 4.996 4.340 -0.001 0.000 0.260 382 L C -2.101 174.729 176.870 -0.065 0.000 1.098 382 L CA -2.199 52.601 54.840 -0.067 0.000 0.800 382 L CB -0.519 41.489 42.059 -0.085 0.000 1.210 382 L HN -0.149 nan 8.230 nan 0.000 0.465 383 P HA -0.017 nan 4.420 nan 0.000 0.271 383 P C -0.451 176.842 177.300 -0.012 0.000 1.233 383 P CA 0.032 63.126 63.100 -0.009 0.000 0.795 383 P CB 0.450 32.186 31.700 0.060 0.000 0.936 384 D N -0.830 119.628 120.400 0.098 0.000 2.144 384 D HA -0.163 4.477 4.640 -0.001 0.000 0.200 384 D C 1.636 177.996 176.300 0.099 0.000 0.978 384 D CA 1.362 55.416 54.000 0.089 0.000 0.833 384 D CB -0.695 40.168 40.800 0.106 0.000 0.961 384 D HN 0.549 nan 8.370 nan 0.000 0.470 385 Y N -0.558 119.736 120.300 -0.011 0.000 2.509 385 Y HA 0.145 4.695 4.550 -0.001 0.000 0.293 385 Y C 1.520 177.358 175.900 -0.103 0.000 1.133 385 Y CA 0.430 58.515 58.100 -0.025 0.000 1.283 385 Y CB -0.755 37.731 38.460 0.042 0.000 1.001 385 Y HN -0.052 nan 8.280 nan 0.000 0.555 386 M N -0.029 119.089 119.600 -0.803 0.000 2.561 386 M HA 0.010 4.489 4.480 -0.001 0.000 0.238 386 M C 1.483 177.687 176.300 -0.159 0.000 1.131 386 M CA 0.689 55.505 55.300 -0.807 0.000 1.046 386 M CB 0.041 32.024 32.600 -1.028 0.000 1.532 386 M HN 0.427 nan 8.290 nan 0.000 0.497 387 Q N 0.401 120.163 119.800 -0.063 0.000 2.063 387 Q HA -0.027 4.313 4.340 -0.001 0.000 0.194 387 Q C 1.934 178.009 176.000 0.125 0.000 0.974 387 Q CA 0.808 56.659 55.803 0.080 0.000 0.827 387 Q CB 0.012 28.780 28.738 0.050 0.000 0.902 387 Q HN 0.290 nan 8.270 nan 0.000 0.462 388 L N 0.655 121.929 121.223 0.085 0.000 2.189 388 L HA -0.221 4.118 4.340 -0.001 0.000 0.214 388 L C 2.302 179.279 176.870 0.179 0.000 1.097 388 L CA 1.492 56.412 54.840 0.133 0.000 0.764 388 L CB -0.468 41.678 42.059 0.145 0.000 0.900 388 L HN 0.404 nan 8.230 nan 0.000 0.436 389 C N -1.571 117.769 119.300 0.068 0.000 2.543 389 C HA -0.141 4.319 4.460 -0.001 0.000 0.281 389 C C 2.696 177.799 174.990 0.189 0.000 1.276 389 C CA 0.494 59.538 59.018 0.044 0.000 1.700 389 C CB -1.130 26.580 27.740 -0.050 0.000 2.093 389 C HN 0.643 nan 8.230 nan 0.000 0.488 390 F N 1.202 121.243 119.950 0.151 0.000 2.115 390 F HA -0.176 4.351 4.527 -0.001 0.000 0.300 390 F C 1.939 177.726 175.800 -0.022 0.000 1.092 390 F CA 2.171 60.194 58.000 0.039 0.000 1.245 390 F CB -0.621 38.400 39.000 0.035 0.000 0.995 390 F HN 0.251 nan 8.300 nan 0.000 0.481 391 L N -0.245 120.930 121.223 -0.080 0.000 2.109 391 L HA 0.025 4.365 4.340 -0.001 0.000 0.207 391 L C 2.492 179.314 176.870 -0.081 0.000 1.086 391 L CA 1.460 56.209 54.840 -0.152 0.000 0.760 391 L CB -0.815 41.260 42.059 0.026 0.000 0.910 391 L HN 0.136 nan 8.230 nan 0.000 0.437 392 A N -0.641 122.218 122.820 0.066 0.000 1.972 392 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 392 A C 2.273 179.948 177.584 0.152 0.000 1.169 392 A CA 1.678 53.816 52.037 0.168 0.000 0.635 392 A CB -0.763 18.454 19.000 0.361 0.000 0.810 392 A HN 0.487 nan 8.150 nan 0.000 0.446 393 L N -0.226 120.976 121.223 -0.035 0.000 2.005 393 L HA -0.208 4.131 4.340 -0.001 0.000 0.207 393 L C 2.378 179.219 176.870 -0.047 0.000 1.072 393 L CA 2.288 57.036 54.840 -0.154 0.000 0.744 393 L CB -0.494 41.307 42.059 -0.429 0.000 0.895 393 L HN 0.641 nan 8.230 nan 0.000 0.433 394 N N -0.319 118.213 118.700 -0.280 0.000 2.364 394 N HA -0.222 4.517 4.740 -0.001 0.000 0.183 394 N C 1.430 177.000 175.510 0.100 0.000 1.022 394 N CA 1.221 54.301 53.050 0.049 0.000 0.883 394 N CB 0.062 38.477 38.487 -0.120 0.000 0.965 394 N HN 0.274 nan 8.380 nan 0.000 0.438 395 N N -0.612 118.134 118.700 0.075 0.000 2.250 395 N HA -0.055 4.685 4.740 -0.001 0.000 0.181 395 N C 1.105 176.711 175.510 0.161 0.000 1.017 395 N CA 0.549 53.666 53.050 0.113 0.000 0.866 395 N CB -0.394 38.164 38.487 0.119 0.000 0.985 395 N HN 0.305 nan 8.380 nan 0.000 0.429 396 F N 1.542 121.565 119.950 0.121 0.000 2.075 396 F HA -0.152 4.375 4.527 -0.001 0.000 0.297 396 F C 2.204 178.097 175.800 0.155 0.000 1.113 396 F CA 1.278 59.360 58.000 0.136 0.000 1.218 396 F CB -0.632 38.449 39.000 0.135 0.000 0.984 396 F HN -0.070 nan 8.300 nan 0.000 0.472 397 V N -0.782 119.224 119.914 0.152 0.000 2.490 397 V HA -0.219 3.900 4.120 -0.001 0.000 0.250 397 V C 1.864 177.886 176.094 -0.121 0.000 1.061 397 V CA 2.441 64.737 62.300 -0.006 0.000 1.064 397 V CB -0.890 31.069 31.823 0.226 0.000 0.670 397 V HN 0.277 nan 8.190 nan 0.000 0.461 398 D N 0.721 121.098 120.400 -0.037 0.000 2.117 398 D HA -0.135 4.504 4.640 -0.001 0.000 0.198 398 D C 1.890 178.170 176.300 -0.033 0.000 0.982 398 D CA 1.982 55.965 54.000 -0.027 0.000 0.828 398 D CB -0.357 40.454 40.800 0.019 0.000 0.967 398 D HN 0.796 nan 8.370 nan 0.000 0.464 399 D N -0.775 119.581 120.400 -0.074 0.000 2.183 399 D HA -0.086 4.553 4.640 -0.001 0.000 0.203 399 D C 1.753 178.000 176.300 -0.087 0.000 0.969 399 D CA 1.195 55.165 54.000 -0.050 0.000 0.842 399 D CB 0.104 40.883 40.800 -0.036 0.000 0.957 399 D HN -0.060 nan 8.370 nan 0.000 0.484 400 T N -1.048 113.321 114.554 -0.309 0.000 2.770 400 T HA -0.086 4.263 4.350 -0.001 0.000 0.263 400 T C 1.928 176.537 174.700 -0.152 0.000 1.039 400 T CA 1.457 63.371 62.100 -0.310 0.000 1.142 400 T CB -0.294 68.186 68.868 -0.647 0.000 0.868 400 T HN 0.103 nan 8.240 nan 0.000 0.435 401 S N 0.554 116.163 115.700 -0.152 0.000 2.469 401 S HA -0.084 4.386 4.470 -0.001 0.000 0.238 401 S C 1.551 176.114 174.600 -0.063 0.000 0.998 401 S CA 0.606 58.731 58.200 -0.124 0.000 0.957 401 S CB -0.438 62.680 63.200 -0.137 0.000 0.764 401 S HN 0.596 nan 8.310 nan 0.000 0.514 402 Y N 2.732 122.969 120.300 -0.106 0.000 2.153 402 Y HA -0.128 4.421 4.550 -0.001 0.000 0.289 402 Y C 1.709 177.574 175.900 -0.057 0.000 1.127 402 Y CA 1.562 59.620 58.100 -0.070 0.000 1.131 402 Y CB -0.433 37.994 38.460 -0.055 0.000 0.995 402 Y HN 0.094 nan 8.280 nan 0.000 0.505 403 D N -0.646 119.777 120.400 0.038 0.000 2.265 403 D HA -0.153 4.487 4.640 -0.001 0.000 0.208 403 D C 2.154 178.404 176.300 -0.083 0.000 0.977 403 D CA 1.117 55.109 54.000 -0.015 0.000 0.871 403 D CB -0.034 40.793 40.800 0.045 0.000 0.925 403 D HN 0.320 nan 8.370 nan 0.000 0.485 404 V N 0.332 120.187 119.914 -0.099 0.000 2.575 404 V HA -0.081 4.038 4.120 -0.001 0.000 0.242 404 V C 2.190 178.210 176.094 -0.124 0.000 1.045 404 V CA 1.038 63.293 62.300 -0.074 0.000 1.065 404 V CB -0.149 31.633 31.823 -0.068 0.000 0.717 404 V HN 0.166 nan 8.190 nan 0.000 0.467 405 M N 0.158 119.645 119.600 -0.187 0.000 2.067 405 M HA -0.184 4.295 4.480 -0.001 0.000 0.260 405 M C 2.245 178.381 176.300 -0.273 0.000 1.069 405 M CA 2.175 57.347 55.300 -0.214 0.000 1.117 405 M CB -0.493 31.959 32.600 -0.247 0.000 1.334 405 M HN 0.119 nan 8.290 nan 0.000 0.407 406 K N 0.582 120.720 120.400 -0.437 0.000 2.001 406 K HA -0.254 4.066 4.320 -0.001 0.000 0.214 406 K C 1.749 178.231 176.600 -0.197 0.000 1.050 406 K CA 2.344 58.387 56.287 -0.406 0.000 0.934 406 K CB -0.434 31.756 32.500 -0.517 0.000 0.718 406 K HN 0.783 nan 8.250 nan 0.000 0.443 407 E N -0.669 119.449 120.200 -0.138 0.000 2.474 407 E HA -0.029 4.320 4.350 -0.001 0.000 0.195 407 E C 0.886 177.442 176.600 -0.073 0.000 1.039 407 E CA 0.307 56.659 56.400 -0.080 0.000 0.881 407 E CB 0.437 30.114 29.700 -0.039 0.000 0.970 407 E HN 0.185 nan 8.360 nan 0.000 0.486 408 K N -0.512 119.833 120.400 -0.091 0.000 2.481 408 K HA 0.172 4.492 4.320 -0.001 0.000 0.210 408 K C 0.660 177.176 176.600 -0.139 0.000 1.161 408 K CA 0.398 56.620 56.287 -0.110 0.000 1.023 408 K CB 1.393 33.838 32.500 -0.091 0.000 0.971 408 K HN 0.216 nan 8.250 nan 0.000 0.577 409 G N 1.865 110.589 108.800 -0.126 0.000 2.159 409 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.256 409 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.256 409 G C -0.001 174.835 174.900 -0.107 0.000 0.977 409 G CA 0.435 45.464 45.100 -0.119 0.000 0.652 409 G HN 0.224 nan 8.290 nan 0.000 0.531 410 V N -2.218 117.637 119.914 -0.100 0.000 2.495 410 V HA 0.791 4.910 4.120 -0.001 0.000 0.298 410 V C 0.090 176.147 176.094 -0.062 0.000 1.031 410 V CA -1.313 60.951 62.300 -0.059 0.000 0.871 410 V CB 1.915 33.737 31.823 -0.002 0.000 0.988 410 V HN 0.251 nan 8.190 nan 0.000 0.432 411 N N 3.915 122.585 118.700 -0.050 0.000 2.605 411 N HA 0.151 4.890 4.740 -0.001 0.000 0.258 411 N C 0.760 176.230 175.510 -0.067 0.000 1.156 411 N CA 0.177 53.185 53.050 -0.070 0.000 1.008 411 N CB 0.792 39.240 38.487 -0.065 0.000 1.354 411 N HN 0.795 nan 8.380 nan 0.000 0.509 412 V N 2.473 122.306 119.914 -0.135 0.000 3.623 412 V HA -0.042 4.077 4.120 -0.001 0.000 0.271 412 V C 2.081 178.044 176.094 -0.219 0.000 1.248 412 V CA 0.495 62.657 62.300 -0.229 0.000 1.156 412 V CB -1.202 30.265 31.823 -0.593 0.000 0.870 412 V HN 0.695 nan 8.190 nan 0.000 0.453 413 I N -0.191 120.264 120.570 -0.191 0.000 2.530 413 I HA -0.041 4.129 4.170 -0.001 0.000 0.257 413 I C -0.593 175.359 176.117 -0.275 0.000 1.179 413 I CA 1.285 62.455 61.300 -0.216 0.000 1.440 413 I CB -1.457 36.423 38.000 -0.199 0.000 1.087 413 I HN 0.312 nan 8.210 nan 0.000 0.440 414 P HA -0.016 nan 4.420 nan 0.000 0.231 414 P C 0.893 177.906 177.300 -0.478 0.000 1.168 414 P CA 1.316 64.155 63.100 -0.435 0.000 0.779 414 P CB -0.058 31.328 31.700 -0.522 0.000 0.844 415 Y N -0.643 119.482 120.300 -0.293 0.000 2.239 415 Y HA 0.079 4.629 4.550 -0.001 0.000 0.293 415 Y C 2.307 178.136 175.900 -0.119 0.000 1.126 415 Y CA 0.682 58.597 58.100 -0.309 0.000 1.128 415 Y CB -1.345 36.954 38.460 -0.268 0.000 1.066 415 Y HN -0.280 nan 8.280 nan 0.000 0.516 416 L N -0.278 120.944 121.223 -0.001 0.000 2.127 416 L HA -0.246 4.094 4.340 -0.001 0.000 0.211 416 L C 2.455 179.440 176.870 0.192 0.000 1.089 416 L CA 1.296 56.116 54.840 -0.033 0.000 0.757 416 L CB -0.474 41.516 42.059 -0.115 0.000 0.899 416 L HN 0.108 nan 8.230 nan 0.000 0.434 417 R N 0.002 120.502 120.500 -0.001 0.000 2.082 417 R HA -0.208 4.132 4.340 -0.001 0.000 0.234 417 R C 2.433 178.805 176.300 0.120 0.000 1.136 417 R CA 1.724 57.726 56.100 -0.163 0.000 0.935 417 R CB -0.383 29.561 30.300 -0.593 0.000 0.842 417 R HN 0.315 nan 8.270 nan 0.000 0.430 418 Q N -0.221 119.601 119.800 0.037 0.000 2.045 418 Q HA -0.219 4.121 4.340 -0.001 0.000 0.206 418 Q C 1.975 178.113 176.000 0.231 0.000 0.991 418 Q CA 2.531 58.402 55.803 0.113 0.000 0.851 418 Q CB -0.134 28.608 28.738 0.006 0.000 0.911 418 Q HN 0.351 nan 8.270 nan 0.000 0.418 419 S N 0.050 115.916 115.700 0.277 0.000 2.393 419 S HA -0.243 4.226 4.470 -0.001 0.000 0.234 419 S C 1.248 175.829 174.600 -0.032 0.000 1.064 419 S CA 1.831 60.131 58.200 0.167 0.000 1.088 419 S CB -0.673 62.579 63.200 0.086 0.000 0.939 419 S HN 0.500 nan 8.310 nan 0.000 0.448 420 W N 1.206 122.690 121.300 0.306 0.000 2.352 420 W HA -0.142 4.518 4.660 -0.001 0.000 0.322 420 W C 2.453 179.084 176.519 0.187 0.000 1.208 420 W CA 0.814 58.327 57.345 0.280 0.000 1.286 420 W CB -1.026 28.714 29.460 0.466 0.000 1.167 420 W HN 0.028 nan 8.180 nan 0.000 0.469 421 V N 0.873 121.081 119.914 0.490 0.000 2.233 421 V HA -0.421 3.698 4.120 -0.001 0.000 0.252 421 V C 1.906 178.072 176.094 0.120 0.000 1.063 421 V CA 2.315 64.790 62.300 0.293 0.000 1.032 421 V CB -1.201 30.778 31.823 0.261 0.000 0.645 421 V HN 0.228 nan 8.190 nan 0.000 0.446 422 D N -0.151 120.300 120.400 0.086 0.000 2.108 422 D HA -0.200 4.440 4.640 -0.001 0.000 0.190 422 D C 2.150 178.366 176.300 -0.141 0.000 0.995 422 D CA 1.841 55.833 54.000 -0.014 0.000 0.834 422 D CB -0.419 40.408 40.800 0.044 0.000 0.967 422 D HN 0.340 nan 8.370 nan 0.000 0.446 423 L N 1.402 122.510 121.223 -0.191 0.000 2.054 423 L HA -0.281 4.059 4.340 -0.001 0.000 0.220 423 L C 2.186 178.827 176.870 -0.382 0.000 1.081 423 L CA 2.271 56.878 54.840 -0.388 0.000 0.780 423 L CB -1.019 40.831 42.059 -0.348 0.000 0.893 423 L HN 0.026 nan 8.230 nan 0.000 0.438 424 A N -0.525 122.239 122.820 -0.094 0.000 1.829 424 A HA -0.321 3.999 4.320 -0.001 0.000 0.216 424 A C 2.095 179.548 177.584 -0.218 0.000 1.207 424 A CA 2.025 54.010 52.037 -0.086 0.000 0.622 424 A CB -1.445 17.582 19.000 0.046 0.000 0.846 424 A HN 0.619 nan 8.150 nan 0.000 0.447 425 D N -0.717 119.611 120.400 -0.120 0.000 2.268 425 D HA -0.255 4.384 4.640 -0.001 0.000 0.189 425 D C 1.713 177.888 176.300 -0.209 0.000 1.010 425 D CA 2.349 56.275 54.000 -0.123 0.000 0.862 425 D CB -0.223 40.524 40.800 -0.087 0.000 0.943 425 D HN 0.263 nan 8.370 nan 0.000 0.451 426 K N -1.087 119.136 120.400 -0.296 0.000 2.211 426 K HA -0.105 4.215 4.320 -0.001 0.000 0.204 426 K C 2.012 178.411 176.600 -0.334 0.000 1.047 426 K CA 0.672 56.744 56.287 -0.357 0.000 0.935 426 K CB -0.559 31.663 32.500 -0.463 0.000 0.728 426 K HN 0.359 nan 8.250 nan 0.000 0.452 427 Y N -0.332 119.706 120.300 -0.436 0.000 2.314 427 Y HA -0.075 4.474 4.550 -0.001 0.000 0.293 427 Y C 2.114 177.781 175.900 -0.389 0.000 1.129 427 Y CA 0.824 58.622 58.100 -0.505 0.000 1.201 427 Y CB -0.329 37.598 38.460 -0.888 0.000 0.999 427 Y HN 0.021 nan 8.280 nan 0.000 0.541 428 M N -0.285 119.207 119.600 -0.179 0.000 2.059 428 M HA -0.148 4.332 4.480 -0.001 0.000 0.259 428 M C 2.124 178.375 176.300 -0.082 0.000 1.072 428 M CA 1.754 57.086 55.300 0.053 0.000 1.117 428 M CB -0.791 31.868 32.600 0.099 0.000 1.320 428 M HN 0.001 nan 8.290 nan 0.000 0.408 429 V N -0.945 118.825 119.914 -0.241 0.000 2.794 429 V HA -0.251 3.868 4.120 -0.001 0.000 0.260 429 V C 1.970 177.595 176.094 -0.783 0.000 1.103 429 V CA 2.095 64.100 62.300 -0.492 0.000 1.125 429 V CB -1.581 29.890 31.823 -0.587 0.000 0.702 429 V HN 0.562 nan 8.190 nan 0.000 0.494 430 E N 0.053 119.979 120.200 -0.457 0.000 2.230 430 E HA 0.092 4.441 4.350 -0.001 0.000 0.192 430 E C 2.216 178.822 176.600 0.010 0.000 0.987 430 E CA 0.829 57.038 56.400 -0.318 0.000 0.841 430 E CB -0.096 29.531 29.700 -0.122 0.000 0.783 430 E HN 0.681 nan 8.360 nan 0.000 0.481 431 A N 1.288 124.146 122.820 0.064 0.000 1.824 431 A HA -0.136 4.184 4.320 -0.001 0.000 0.215 431 A C 1.810 179.555 177.584 0.268 0.000 1.244 431 A CA 1.160 53.325 52.037 0.214 0.000 0.604 431 A CB -0.516 18.627 19.000 0.237 0.000 0.900 431 A HN 0.084 nan 8.150 nan 0.000 0.455 432 R N -1.435 119.176 120.500 0.185 0.000 2.293 432 R HA -0.313 4.026 4.340 -0.001 0.000 0.245 432 R C 1.948 178.421 176.300 0.287 0.000 1.105 432 R CA 2.367 58.574 56.100 0.177 0.000 0.916 432 R CB -0.935 29.380 30.300 0.025 0.000 0.963 432 R HN 0.758 nan 8.270 nan 0.000 0.429 433 W N 0.225 121.660 121.300 0.226 0.000 2.289 433 W HA -0.230 4.429 4.660 -0.001 0.000 0.328 433 W C 2.289 178.963 176.519 0.259 0.000 1.241 433 W CA 0.786 58.304 57.345 0.289 0.000 1.221 433 W CB -1.674 28.018 29.460 0.387 0.000 1.175 433 W HN 0.123 nan 8.180 nan 0.000 0.457 434 F N -0.282 119.928 119.950 0.434 0.000 2.063 434 F HA -0.354 4.172 4.527 -0.001 0.000 0.298 434 F C 2.418 178.352 175.800 0.225 0.000 1.105 434 F CA 2.221 60.365 58.000 0.240 0.000 1.215 434 F CB -1.421 37.645 39.000 0.111 0.000 0.972 434 F HN -0.071 nan 8.300 nan 0.000 0.483 435 Y N 0.287 120.336 120.300 -0.418 0.000 2.089 435 Y HA -0.118 4.431 4.550 -0.001 0.000 0.282 435 Y C 2.683 178.426 175.900 -0.260 0.000 1.139 435 Y CA 0.516 58.278 58.100 -0.562 0.000 1.123 435 Y CB -1.004 37.367 38.460 -0.148 0.000 0.980 435 Y HN 0.176 nan 8.280 nan 0.000 0.493 436 G N -0.638 108.247 108.800 0.141 0.000 2.740 436 G HA2 0.013 3.973 3.960 -0.001 0.000 0.208 436 G HA3 0.013 3.973 3.960 -0.001 0.000 0.208 436 G C 1.356 176.325 174.900 0.114 0.000 1.148 436 G CA 0.609 45.781 45.100 0.121 0.000 0.795 436 G HN 0.663 nan 8.290 nan 0.000 0.526 437 G N -0.602 108.239 108.800 0.068 0.000 2.233 437 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.270 437 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.270 437 G C 0.273 175.242 174.900 0.115 0.000 1.011 437 G CA 0.761 45.895 45.100 0.057 0.000 0.762 437 G HN 1.058 nan 8.290 nan 0.000 0.511 438 H N 0.364 119.511 119.070 0.128 0.000 2.683 438 H HA 0.650 5.205 4.556 -0.001 0.000 0.339 438 H C 0.078 175.415 175.328 0.016 0.000 1.081 438 H CA -0.070 56.020 56.048 0.070 0.000 1.432 438 H CB 0.716 30.552 29.762 0.124 0.000 1.462 438 H HN -0.027 nan 8.280 nan 0.000 0.557 439 K N 6.412 126.274 120.400 -0.896 0.000 2.292 439 K HA 0.371 4.691 4.320 -0.001 0.000 0.257 439 K C -2.685 173.215 176.600 -1.166 0.000 0.940 439 K CA -2.584 53.330 56.287 -0.621 0.000 0.811 439 K CB 1.571 33.880 32.500 -0.318 0.000 1.120 439 K HN 0.571 nan 8.250 nan 0.000 0.428 440 P HA 0.369 nan 4.420 nan 0.000 0.288 440 P C -0.584 176.565 177.300 -0.252 0.000 1.297 440 P CA -0.672 62.124 63.100 -0.508 0.000 0.864 440 P CB 0.909 32.123 31.700 -0.809 0.000 1.237 441 S N -0.159 115.468 115.700 -0.122 0.000 2.681 441 S HA 0.194 4.663 4.470 -0.001 0.000 0.270 441 S C 1.310 175.934 174.600 0.041 0.000 1.209 441 S CA -0.651 57.510 58.200 -0.064 0.000 0.988 441 S CB -0.252 62.924 63.200 -0.041 0.000 1.006 441 S HN 0.298 nan 8.310 nan 0.000 0.558 442 L N 0.416 121.679 121.223 0.066 0.000 2.046 442 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 442 L C 2.460 179.494 176.870 0.274 0.000 1.077 442 L CA 2.033 56.992 54.840 0.198 0.000 0.747 442 L CB -1.425 40.793 42.059 0.264 0.000 0.896 442 L HN 0.793 nan 8.230 nan 0.000 0.432 443 E N -0.089 120.239 120.200 0.213 0.000 2.107 443 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 443 E C 2.074 178.831 176.600 0.262 0.000 0.982 443 E CA 0.742 57.288 56.400 0.244 0.000 0.809 443 E CB 0.067 29.881 29.700 0.190 0.000 0.756 443 E HN 0.421 nan 8.360 nan 0.000 0.459 444 E N -0.824 119.501 120.200 0.209 0.000 2.033 444 E HA -0.248 4.101 4.350 -0.001 0.000 0.199 444 E C 1.917 178.733 176.600 0.360 0.000 1.011 444 E CA 1.421 57.962 56.400 0.235 0.000 0.815 444 E CB -0.305 29.459 29.700 0.105 0.000 0.755 444 E HN 0.311 nan 8.360 nan 0.000 0.451 445 Y N 1.218 121.647 120.300 0.214 0.000 2.030 445 Y HA -0.267 4.283 4.550 -0.001 0.000 0.274 445 Y C 2.096 178.196 175.900 0.334 0.000 1.153 445 Y CA 1.860 60.153 58.100 0.322 0.000 1.115 445 Y CB -0.418 38.163 38.460 0.201 0.000 0.969 445 Y HN 0.001 nan 8.280 nan 0.000 0.488 446 L N 0.268 121.825 121.223 0.556 0.000 2.357 446 L HA -0.237 4.102 4.340 -0.001 0.000 0.220 446 L C 2.179 179.342 176.870 0.488 0.000 1.123 446 L CA 1.481 56.647 54.840 0.544 0.000 0.782 446 L CB -0.488 41.910 42.059 0.566 0.000 0.910 446 L HN 0.305 nan 8.230 nan 0.000 0.442 447 E N -0.204 120.218 120.200 0.369 0.000 2.230 447 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 447 E C 1.807 178.452 176.600 0.075 0.000 0.987 447 E CA 0.702 57.321 56.400 0.365 0.000 0.841 447 E CB 0.062 29.944 29.700 0.303 0.000 0.783 447 E HN 0.372 nan 8.360 nan 0.000 0.481 448 N N -0.618 118.058 118.700 -0.041 0.000 2.197 448 N HA -0.132 4.608 4.740 -0.001 0.000 0.184 448 N C 1.751 176.994 175.510 -0.446 0.000 1.030 448 N CA 1.220 54.108 53.050 -0.271 0.000 0.851 448 N CB 0.034 38.383 38.487 -0.231 0.000 1.003 448 N HN 0.166 nan 8.380 nan 0.000 0.430 449 S N 2.595 118.036 115.700 -0.431 0.000 2.433 449 S HA -0.242 4.228 4.470 -0.001 0.000 0.276 449 S C 1.881 176.245 174.600 -0.393 0.000 1.122 449 S CA 1.931 59.869 58.200 -0.438 0.000 1.277 449 S CB -1.920 61.076 63.200 -0.340 0.000 1.198 449 S HN 0.710 nan 8.310 nan 0.000 0.440 450 W N 2.275 123.221 121.300 -0.590 0.000 2.596 450 W HA -0.048 4.612 4.660 -0.001 0.000 0.255 450 W C 1.264 177.416 176.519 -0.611 0.000 1.232 450 W CA 0.958 57.800 57.345 -0.840 0.000 1.230 450 W CB -0.697 27.782 29.460 -1.635 0.000 1.141 450 W HN 0.561 nan 8.180 nan 0.000 0.628 451 Q N 0.487 119.708 119.800 -0.965 0.000 2.534 451 Q HA -0.079 4.260 4.340 -0.001 0.000 0.252 451 Q C 2.561 178.113 176.000 -0.746 0.000 0.850 451 Q CA 0.944 56.131 55.803 -1.026 0.000 0.974 451 Q CB -0.220 27.770 28.738 -1.248 0.000 1.205 451 Q HN 0.194 nan 8.270 nan 0.000 0.593 452 S N 1.646 116.959 115.700 -0.645 0.000 2.383 452 S HA -0.191 4.278 4.470 -0.001 0.000 0.229 452 S C 1.916 176.205 174.600 -0.520 0.000 1.030 452 S CA 1.162 58.990 58.200 -0.620 0.000 1.002 452 S CB -0.428 62.553 63.200 -0.366 0.000 0.829 452 S HN 0.337 nan 8.310 nan 0.000 0.467 453 I N 2.544 122.900 120.570 -0.356 0.000 2.800 453 I HA -0.179 3.991 4.170 -0.001 0.000 0.266 453 I C 1.554 177.499 176.117 -0.287 0.000 1.249 453 I CA 0.906 62.066 61.300 -0.233 0.000 1.458 453 I CB -0.560 37.321 38.000 -0.198 0.000 1.093 453 I HN 0.781 nan 8.210 nan 0.000 0.466 454 S N -2.802 112.641 115.700 -0.428 0.000 2.596 454 S HA -0.216 4.254 4.470 -0.001 0.000 0.260 454 S C 1.711 176.053 174.600 -0.430 0.000 1.282 454 S CA 1.084 59.012 58.200 -0.453 0.000 1.357 454 S CB -3.025 59.972 63.200 -0.338 0.000 1.674 454 S HN 0.824 nan 8.310 nan 0.000 0.641 455 G N 3.300 111.872 108.800 -0.380 0.000 2.732 455 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.222 455 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.222 455 G C -0.269 174.413 174.900 -0.363 0.000 1.203 455 G CA 1.730 46.633 45.100 -0.329 0.000 0.780 455 G HN 0.656 nan 8.290 nan 0.000 0.621 456 P HA -0.065 nan 4.420 nan 0.000 0.217 456 P C 2.196 179.234 177.300 -0.437 0.000 1.150 456 P CA 1.183 63.950 63.100 -0.555 0.000 0.832 456 P CB -0.338 30.651 31.700 -1.185 0.000 0.787 457 C N 0.022 119.037 119.300 -0.475 0.000 2.413 457 C HA -0.145 4.314 4.460 -0.001 0.000 0.276 457 C C 2.765 177.585 174.990 -0.284 0.000 1.236 457 C CA 1.428 60.205 59.018 -0.401 0.000 1.735 457 C CB -1.627 25.754 27.740 -0.598 0.000 2.031 457 C HN 0.185 nan 8.230 nan 0.000 0.474 458 M N -0.939 118.461 119.600 -0.333 0.000 2.200 458 M HA -0.012 4.467 4.480 -0.001 0.000 0.265 458 M C 2.002 178.223 176.300 -0.131 0.000 1.066 458 M CA 1.544 56.690 55.300 -0.258 0.000 1.127 458 M CB -0.899 31.525 32.600 -0.294 0.000 1.379 458 M HN 0.212 nan 8.290 nan 0.000 0.420 459 L N 1.980 123.097 121.223 -0.176 0.000 2.141 459 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 459 L C 2.922 179.771 176.870 -0.034 0.000 1.094 459 L CA 2.235 57.009 54.840 -0.111 0.000 0.763 459 L CB -0.812 41.132 42.059 -0.191 0.000 0.908 459 L HN 0.629 nan 8.230 nan 0.000 0.437 460 T N -5.507 108.974 114.554 -0.121 0.000 2.942 460 T HA -0.147 4.202 4.350 -0.001 0.000 0.265 460 T C 1.918 176.588 174.700 -0.050 0.000 1.062 460 T CA 0.773 62.734 62.100 -0.232 0.000 1.139 460 T CB -0.541 68.127 68.868 -0.333 0.000 0.883 460 T HN 0.395 nan 8.240 nan 0.000 0.468 461 H N 1.414 120.473 119.070 -0.018 0.000 2.293 461 H HA 0.008 4.564 4.556 -0.001 0.000 0.300 461 H C 2.373 177.768 175.328 0.111 0.000 1.082 461 H CA 1.860 57.992 56.048 0.140 0.000 1.308 461 H CB -0.141 29.682 29.762 0.102 0.000 1.375 461 H HN 0.350 nan 8.280 nan 0.000 0.495 462 I N 0.623 121.286 120.570 0.155 0.000 2.194 462 I HA -0.326 3.843 4.170 -0.001 0.000 0.246 462 I C 2.579 178.679 176.117 -0.028 0.000 1.093 462 I CA 1.383 62.727 61.300 0.074 0.000 1.355 462 I CB -0.817 37.230 38.000 0.078 0.000 1.046 462 I HN 0.149 nan 8.210 nan 0.000 0.413 463 F N 2.502 122.229 119.950 -0.372 0.000 2.091 463 F HA -0.276 4.250 4.527 -0.001 0.000 0.299 463 F C 2.120 177.446 175.800 -0.789 0.000 1.103 463 F CA 1.691 59.148 58.000 -0.905 0.000 1.228 463 F CB -0.759 37.293 39.000 -1.580 0.000 0.984 463 F HN -0.121 nan 8.300 nan 0.000 0.477 464 F N 0.591 120.153 119.950 -0.646 0.000 2.449 464 F HA -0.097 4.429 4.527 -0.001 0.000 0.299 464 F C 1.919 177.468 175.800 -0.418 0.000 1.092 464 F CA 0.872 58.379 58.000 -0.821 0.000 1.446 464 F CB -0.535 38.210 39.000 -0.425 0.000 1.084 464 F HN -0.009 nan 8.300 nan 0.000 0.567 465 R N -0.659 119.741 120.500 -0.167 0.000 2.419 465 R HA 0.192 4.531 4.340 -0.001 0.000 0.235 465 R C 1.767 177.932 176.300 -0.225 0.000 0.899 465 R CA 0.840 56.884 56.100 -0.094 0.000 1.048 465 R CB -0.537 29.758 30.300 -0.009 0.000 1.182 465 R HN 0.343 nan 8.270 nan 0.000 0.544 466 V N -1.143 118.549 119.914 -0.370 0.000 2.949 466 V HA 0.130 4.250 4.120 -0.001 0.000 0.245 466 V C 1.210 177.129 176.094 -0.291 0.000 1.086 466 V CA 0.631 62.549 62.300 -0.636 0.000 1.097 466 V CB -0.403 31.107 31.823 -0.522 0.000 0.762 466 V HN 0.144 nan 8.190 nan 0.000 0.470 467 T N -0.923 113.437 114.554 -0.322 0.000 2.889 467 T HA 0.330 4.679 4.350 -0.001 0.000 0.291 467 T C 0.254 174.943 174.700 -0.018 0.000 0.995 467 T CA 0.229 62.215 62.100 -0.191 0.000 1.092 467 T CB 1.373 70.008 68.868 -0.388 0.000 0.954 467 T HN 0.345 nan 8.240 nan 0.000 0.506 468 D N 1.338 121.756 120.400 0.029 0.000 2.277 468 D HA 0.171 4.810 4.640 -0.001 0.000 0.208 468 D C 0.326 176.584 176.300 -0.070 0.000 0.962 468 D CA 0.520 54.530 54.000 0.017 0.000 0.865 468 D CB 0.270 41.076 40.800 0.010 0.000 0.939 468 D HN 0.490 nan 8.370 nan 0.000 0.510 469 S N -1.036 114.618 115.700 -0.076 0.000 2.563 469 S HA 0.492 4.962 4.470 -0.001 0.000 0.279 469 S C -1.809 172.707 174.600 -0.139 0.000 1.155 469 S CA -0.951 57.046 58.200 -0.339 0.000 0.928 469 S CB 0.419 63.488 63.200 -0.219 0.000 1.107 469 S HN 0.148 nan 8.310 nan 0.000 0.462 470 F N 0.290 120.210 119.950 -0.050 0.000 2.640 470 F HA 0.853 5.380 4.527 -0.001 0.000 0.324 470 F C 0.351 176.184 175.800 0.055 0.000 1.077 470 F CA -1.034 56.983 58.000 0.029 0.000 0.965 470 F CB 0.912 39.974 39.000 0.104 0.000 1.351 470 F HN 0.405 nan 8.300 nan 0.000 0.487 471 T N -0.946 113.764 114.554 0.259 0.000 2.949 471 T HA 0.260 4.610 4.350 -0.001 0.000 0.287 471 T C 0.783 175.598 174.700 0.191 0.000 1.034 471 T CA -0.687 61.498 62.100 0.142 0.000 1.018 471 T CB 1.665 70.579 68.868 0.077 0.000 1.135 471 T HN 0.807 nan 8.240 nan 0.000 0.532 472 K N 0.408 120.889 120.400 0.136 0.000 2.147 472 K HA -0.097 4.222 4.320 -0.001 0.000 0.205 472 K C 1.705 178.360 176.600 0.092 0.000 1.049 472 K CA 1.216 57.588 56.287 0.142 0.000 0.936 472 K CB -0.085 32.488 32.500 0.122 0.000 0.722 472 K HN 0.583 nan 8.250 nan 0.000 0.446 473 E N 0.460 120.696 120.200 0.061 0.000 2.015 473 E HA -0.101 4.249 4.350 -0.001 0.000 0.191 473 E C 1.871 178.469 176.600 -0.003 0.000 0.991 473 E CA 1.406 57.820 56.400 0.024 0.000 0.802 473 E CB -0.595 29.110 29.700 0.008 0.000 0.759 473 E HN 0.191 nan 8.360 nan 0.000 0.447 474 T N 1.020 115.581 114.554 0.012 0.000 2.680 474 T HA -0.171 4.179 4.350 -0.001 0.000 0.268 474 T C 1.969 176.585 174.700 -0.139 0.000 1.033 474 T CA 1.688 63.761 62.100 -0.044 0.000 1.152 474 T CB -0.318 68.615 68.868 0.109 0.000 0.859 474 T HN -0.012 nan 8.240 nan 0.000 0.452 475 V N 1.579 121.451 119.914 -0.071 0.000 2.270 475 V HA -0.141 3.978 4.120 -0.001 0.000 0.245 475 V C 2.382 178.416 176.094 -0.099 0.000 1.043 475 V CA 1.721 63.887 62.300 -0.224 0.000 1.014 475 V CB -0.475 31.253 31.823 -0.158 0.000 0.645 475 V HN 0.452 nan 8.190 nan 0.000 0.447 476 D N -0.335 120.064 120.400 -0.002 0.000 2.178 476 D HA -0.140 4.499 4.640 -0.001 0.000 0.201 476 D C 2.386 178.701 176.300 0.025 0.000 0.980 476 D CA 1.600 55.633 54.000 0.055 0.000 0.842 476 D CB -0.109 40.724 40.800 0.056 0.000 0.948 476 D HN 0.381 nan 8.370 nan 0.000 0.472 477 S N 0.303 115.996 115.700 -0.013 0.000 2.383 477 S HA -0.166 4.303 4.470 -0.001 0.000 0.229 477 S C 1.860 176.523 174.600 0.106 0.000 1.030 477 S CA 0.643 58.852 58.200 0.015 0.000 1.002 477 S CB -0.209 62.969 63.200 -0.036 0.000 0.829 477 S HN 0.157 nan 8.310 nan 0.000 0.467 478 L N 0.655 121.893 121.223 0.025 0.000 1.976 478 L HA 0.014 4.354 4.340 -0.001 0.000 0.209 478 L C 1.642 178.385 176.870 -0.212 0.000 1.071 478 L CA 1.963 56.769 54.840 -0.056 0.000 0.746 478 L CB -1.211 40.472 42.059 -0.627 0.000 0.890 478 L HN 0.387 nan 8.230 nan 0.000 0.432 479 Y N 0.135 120.259 120.300 -0.293 0.000 2.751 479 Y HA -0.187 4.363 4.550 -0.001 0.000 0.310 479 Y C 2.349 177.865 175.900 -0.639 0.000 1.176 479 Y CA 1.252 59.042 58.100 -0.516 0.000 1.360 479 Y CB -0.535 37.750 38.460 -0.291 0.000 0.999 479 Y HN 0.368 nan 8.280 nan 0.000 0.532 480 K N -0.519 119.736 120.400 -0.242 0.000 2.103 480 K HA -0.127 4.192 4.320 -0.001 0.000 0.204 480 K C -0.874 175.625 176.600 -0.168 0.000 1.052 480 K CA 1.014 57.213 56.287 -0.147 0.000 0.945 480 K CB 0.170 32.631 32.500 -0.065 0.000 0.722 480 K HN 0.124 nan 8.250 nan 0.000 0.443 481 Y N 0.292 120.612 120.300 0.033 0.000 2.908 481 Y HA -0.193 4.356 4.550 -0.001 0.000 0.034 481 Y C -0.618 175.284 175.900 0.004 0.000 2.334 481 Y CA -0.301 57.819 58.100 0.033 0.000 1.155 481 Y CB -2.147 36.470 38.460 0.262 0.000 1.868 481 Y HN 0.332 nan 8.280 nan 0.000 0.281 482 H N 3.702 122.799 119.070 0.045 0.000 2.948 482 H HA 0.002 4.557 4.556 -0.001 0.000 0.351 482 H C 0.996 176.253 175.328 -0.119 0.000 1.079 482 H CA 1.471 57.538 56.048 0.033 0.000 1.407 482 H CB 0.939 30.868 29.762 0.279 0.000 1.373 482 H HN 0.718 nan 8.280 nan 0.000 0.605 483 D N 3.780 123.884 120.400 -0.492 0.000 2.170 483 D HA -0.219 4.420 4.640 -0.001 0.000 0.193 483 D C 2.254 178.279 176.300 -0.457 0.000 1.004 483 D CA 1.276 54.854 54.000 -0.702 0.000 0.860 483 D CB 0.037 40.462 40.800 -0.626 0.000 0.931 483 D HN 0.479 nan 8.370 nan 0.000 0.448 484 L N 0.855 122.254 121.223 0.293 0.000 2.012 484 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 484 L C 2.356 179.195 176.870 -0.050 0.000 1.073 484 L CA 1.466 56.425 54.840 0.198 0.000 0.748 484 L CB -0.799 41.370 42.059 0.182 0.000 0.891 484 L HN -0.100 nan 8.230 nan 0.000 0.431 485 V N 1.068 120.950 119.914 -0.053 0.000 2.332 485 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 485 V C 2.861 178.836 176.094 -0.198 0.000 1.055 485 V CA 2.229 64.457 62.300 -0.121 0.000 1.038 485 V CB -0.937 30.882 31.823 -0.007 0.000 0.651 485 V HN 0.686 nan 8.190 nan 0.000 0.450 486 R N -1.211 119.020 120.500 -0.448 0.000 2.115 486 R HA -0.132 4.208 4.340 -0.001 0.000 0.226 486 R C 2.088 178.063 176.300 -0.543 0.000 1.100 486 R CA 1.489 57.066 56.100 -0.871 0.000 0.980 486 R CB -0.384 28.873 30.300 -1.739 0.000 0.875 486 R HN 0.493 nan 8.270 nan 0.000 0.445 487 W N 1.711 122.896 121.300 -0.192 0.000 2.441 487 W HA 0.002 4.661 4.660 -0.001 0.000 0.302 487 W C 2.720 179.114 176.519 -0.208 0.000 1.191 487 W CA 1.166 58.424 57.345 -0.145 0.000 1.327 487 W CB -1.003 28.337 29.460 -0.200 0.000 1.128 487 W HN 0.343 nan 8.180 nan 0.000 0.522 488 S N -0.066 115.588 115.700 -0.077 0.000 2.400 488 S HA -0.186 4.284 4.470 -0.001 0.000 0.232 488 S C 1.976 176.483 174.600 -0.155 0.000 1.025 488 S CA 1.935 60.000 58.200 -0.224 0.000 0.993 488 S CB -0.640 62.395 63.200 -0.275 0.000 0.808 488 S HN 0.032 nan 8.310 nan 0.000 0.478 489 S N 0.762 116.384 115.700 -0.130 0.000 2.359 489 S HA 0.013 4.482 4.470 -0.001 0.000 0.224 489 S C 1.380 175.917 174.600 -0.104 0.000 1.035 489 S CA 1.464 59.587 58.200 -0.129 0.000 1.018 489 S CB -0.667 62.492 63.200 -0.069 0.000 0.876 489 S HN 0.591 nan 8.310 nan 0.000 0.448 490 F N 1.594 121.527 119.950 -0.028 0.000 2.069 490 F HA -0.158 4.369 4.527 -0.001 0.000 0.298 490 F C 2.388 178.171 175.800 -0.027 0.000 1.113 490 F CA 0.960 58.964 58.000 0.006 0.000 1.214 490 F CB -0.964 38.029 39.000 -0.011 0.000 0.978 490 F HN -0.010 nan 8.300 nan 0.000 0.474 491 V N 0.367 120.336 119.914 0.092 0.000 2.255 491 V HA -0.317 3.802 4.120 -0.001 0.000 0.247 491 V C 2.413 178.539 176.094 0.053 0.000 1.051 491 V CA 1.861 64.158 62.300 -0.005 0.000 1.018 491 V CB -1.070 30.634 31.823 -0.199 0.000 0.641 491 V HN 0.408 nan 8.190 nan 0.000 0.445 492 L N 0.757 121.997 121.223 0.028 0.000 2.089 492 L HA -0.214 4.125 4.340 -0.001 0.000 0.213 492 L C 2.433 179.372 176.870 0.114 0.000 1.079 492 L CA 2.474 57.382 54.840 0.113 0.000 0.758 492 L CB -0.826 41.252 42.059 0.031 0.000 0.891 492 L HN 0.303 nan 8.230 nan 0.000 0.433 493 R N 0.469 120.998 120.500 0.049 0.000 2.070 493 R HA -0.075 4.265 4.340 -0.001 0.000 0.227 493 R C 2.218 178.577 176.300 0.098 0.000 1.147 493 R CA 2.358 58.485 56.100 0.046 0.000 0.924 493 R CB -1.443 28.873 30.300 0.026 0.000 0.827 493 R HN 0.519 nan 8.270 nan 0.000 0.431 494 L N 0.590 121.915 121.223 0.171 0.000 2.103 494 L HA -0.247 4.093 4.340 -0.001 0.000 0.215 494 L C 2.571 179.497 176.870 0.093 0.000 1.080 494 L CA 1.791 56.722 54.840 0.152 0.000 0.764 494 L CB -0.823 41.322 42.059 0.143 0.000 0.890 494 L HN 0.401 nan 8.230 nan 0.000 0.435 495 A N -0.486 122.397 122.820 0.105 0.000 1.872 495 A HA -0.237 4.083 4.320 -0.001 0.000 0.214 495 A C 2.159 179.755 177.584 0.020 0.000 1.187 495 A CA 1.676 53.798 52.037 0.141 0.000 0.614 495 A CB -0.553 18.602 19.000 0.258 0.000 0.826 495 A HN 0.477 nan 8.150 nan 0.000 0.442 496 D N 0.030 120.319 120.400 -0.185 0.000 2.104 496 D HA -0.205 4.435 4.640 -0.001 0.000 0.194 496 D C 1.334 177.388 176.300 -0.411 0.000 0.994 496 D CA 1.746 55.201 54.000 -0.909 0.000 0.830 496 D CB -0.337 40.063 40.800 -0.667 0.000 0.959 496 D HN 0.293 nan 8.370 nan 0.000 0.452 497 D N -0.034 120.288 120.400 -0.130 0.000 2.149 497 D HA -0.135 4.504 4.640 -0.001 0.000 0.198 497 D C 2.087 178.379 176.300 -0.014 0.000 0.990 497 D CA 0.364 54.357 54.000 -0.013 0.000 0.839 497 D CB -0.293 40.569 40.800 0.103 0.000 0.948 497 D HN 0.261 nan 8.370 nan 0.000 0.460 498 L N -0.883 120.335 121.223 -0.008 0.000 2.313 498 L HA 0.132 4.472 4.340 -0.001 0.000 0.214 498 L C 1.916 178.797 176.870 0.018 0.000 1.119 498 L CA 1.178 56.028 54.840 0.016 0.000 0.809 498 L CB -0.084 42.000 42.059 0.041 0.000 0.933 498 L HN 0.064 nan 8.230 nan 0.000 0.449 499 G N -1.319 107.478 108.800 -0.004 0.000 2.508 499 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.212 499 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.212 499 G C 1.251 176.174 174.900 0.037 0.000 1.206 499 G CA 0.779 45.910 45.100 0.052 0.000 0.822 499 G HN 0.411 nan 8.290 nan 0.000 0.550 500 T N -1.615 112.930 114.554 -0.016 0.000 4.971 500 T HA 0.125 4.474 4.350 -0.001 0.000 0.217 500 T C 1.842 176.553 174.700 0.018 0.000 0.770 500 T CA 2.357 64.467 62.100 0.018 0.000 2.187 500 T CB -0.337 68.532 68.868 0.003 0.000 1.552 500 T HN 0.780 nan 8.240 nan 0.000 0.277 501 S N -0.881 114.828 115.700 0.016 0.000 1.832 501 S HA -0.329 4.141 4.470 -0.001 0.000 0.231 501 S C 1.952 176.565 174.600 0.022 0.000 0.901 501 S CA 2.934 61.145 58.200 0.017 0.000 1.687 501 S CB -2.142 61.063 63.200 0.008 0.000 1.858 501 S HN 1.719 nan 8.310 nan 0.000 0.523 502 V N 1.702 121.630 119.914 0.024 0.000 2.252 502 V HA -0.160 3.959 4.120 -0.001 0.000 0.249 502 V C 2.214 178.324 176.094 0.027 0.000 1.056 502 V CA 3.160 65.476 62.300 0.026 0.000 1.022 502 V CB -0.763 31.077 31.823 0.028 0.000 0.641 502 V HN 0.759 nan 8.190 nan 0.000 0.445 503 E N -0.504 119.715 120.200 0.032 0.000 2.158 503 E HA -0.093 4.256 4.350 -0.001 0.000 0.191 503 E C 2.345 178.959 176.600 0.023 0.000 0.982 503 E CA 1.141 57.558 56.400 0.028 0.000 0.823 503 E CB 0.117 29.840 29.700 0.039 0.000 0.766 503 E HN 0.814 nan 8.360 nan 0.000 0.468 504 E N 0.667 120.885 120.200 0.030 0.000 2.048 504 E HA -0.239 4.110 4.350 -0.001 0.000 0.202 504 E C 2.124 178.723 176.600 -0.002 0.000 1.021 504 E CA 2.371 58.784 56.400 0.022 0.000 0.825 504 E CB -1.604 nan 29.700 nan 0.000 0.756 504 E HN 0.267 nan 8.360 nan 0.000 0.454 505 V N -1.726 118.197 119.914 0.015 0.000 2.307 505 V HA -0.178 3.942 4.120 -0.001 0.000 0.245 505 V C 2.477 178.588 176.094 0.028 0.000 1.045 505 V CA 2.457 64.773 62.300 0.025 0.000 1.024 505 V CB -0.690 31.155 31.823 0.036 0.000 0.651 505 V HN 0.436 nan 8.190 nan 0.000 0.449 506 S N 1.872 117.586 115.700 0.024 0.000 2.365 506 S HA -0.202 4.268 4.470 -0.001 0.000 0.221 506 S C 1.786 176.396 174.600 0.017 0.000 1.037 506 S CA 2.404 60.618 58.200 0.024 0.000 1.060 506 S CB -0.446 62.765 63.200 0.018 0.000 0.974 506 S HN 0.917 nan 8.310 nan 0.000 0.427 507 R N 1.173 121.671 120.500 -0.003 0.000 2.547 507 R HA 0.467 4.807 4.340 -0.001 0.000 0.258 507 R C 0.506 176.787 176.300 -0.032 0.000 1.115 507 R CA 0.454 56.543 56.100 -0.019 0.000 1.152 507 R CB -0.804 29.463 30.300 -0.054 0.000 1.221 507 R HN 0.271 nan 8.270 nan 0.000 0.539 508 G N 0.109 108.890 108.800 -0.032 0.000 3.190 508 G HA2 0.115 4.075 3.960 -0.001 0.000 0.686 508 G HA3 0.115 4.075 3.960 -0.001 0.000 0.686 508 G C -1.323 173.400 174.900 -0.294 0.000 1.033 508 G CA -0.269 44.754 45.100 -0.129 0.000 0.797 508 G HN 0.331 nan 8.290 nan 0.000 0.567 509 D N -0.906 119.227 120.400 -0.445 0.000 3.133 509 D HA 0.266 4.906 4.640 -0.001 0.000 0.282 509 D C 0.443 176.658 176.300 -0.141 0.000 1.059 509 D CA 0.318 54.082 54.000 -0.393 0.000 0.721 509 D CB 1.299 42.022 40.800 -0.127 0.000 1.558 509 D HN 1.435 nan 8.370 nan 0.000 0.467 510 V N 0.474 120.417 119.914 0.049 0.000 3.376 510 V HA 0.568 4.687 4.120 -0.001 0.000 0.303 510 V C -2.254 173.969 176.094 0.216 0.000 1.100 510 V CA -0.450 62.038 62.300 0.313 0.000 1.126 510 V CB 0.673 32.820 31.823 0.541 0.000 1.085 510 V HN 0.436 nan 8.190 nan 0.000 0.480 511 P HA 0.277 nan 4.420 nan 0.000 0.272 511 P C -0.835 176.389 177.300 -0.127 0.000 1.223 511 P CA -0.146 62.966 63.100 0.019 0.000 0.784 511 P CB 0.354 32.037 31.700 -0.028 0.000 0.923 512 K N 0.603 120.884 120.400 -0.198 0.000 2.632 512 K HA 0.219 4.538 4.320 -0.001 0.000 0.267 512 K C 1.693 177.903 176.600 -0.650 0.000 1.028 512 K CA -0.291 55.717 56.287 -0.465 0.000 1.045 512 K CB -0.252 32.183 32.500 -0.108 0.000 1.400 512 K HN 0.465 nan 8.250 nan 0.000 0.522 513 S N 0.278 115.664 115.700 -0.524 0.000 2.356 513 S HA -0.169 4.301 4.470 -0.001 0.000 0.223 513 S C 2.071 176.675 174.600 0.007 0.000 1.032 513 S CA 1.448 59.529 58.200 -0.200 0.000 1.005 513 S CB -0.644 62.621 63.200 0.107 0.000 0.867 513 S HN 0.423 nan 8.310 nan 0.000 0.449 514 L N 1.564 122.799 121.223 0.021 0.000 2.079 514 L HA -0.033 4.307 4.340 -0.001 0.000 0.210 514 L C 2.989 179.921 176.870 0.104 0.000 1.081 514 L CA 1.541 56.423 54.840 0.071 0.000 0.752 514 L CB -1.309 40.764 42.059 0.023 0.000 0.896 514 L HN 0.263 nan 8.230 nan 0.000 0.433 515 Q N 0.018 119.823 119.800 0.008 0.000 2.016 515 Q HA -0.153 4.186 4.340 -0.001 0.000 0.200 515 Q C 2.435 178.438 176.000 0.006 0.000 0.978 515 Q CA 2.151 57.956 55.803 0.004 0.000 0.833 515 Q CB -0.566 28.145 28.738 -0.044 0.000 0.895 515 Q HN 0.634 nan 8.270 nan 0.000 0.427 516 C N 0.130 119.393 119.300 -0.061 0.000 2.422 516 C HA -0.112 4.347 4.460 -0.001 0.000 0.286 516 C C 2.396 177.410 174.990 0.040 0.000 1.412 516 C CA 0.230 59.217 59.018 -0.052 0.000 1.786 516 C CB -1.649 26.036 27.740 -0.091 0.000 1.835 516 C HN 0.511 nan 8.230 nan 0.000 0.533 517 Y N 2.254 122.571 120.300 0.028 0.000 2.084 517 Y HA -0.197 4.353 4.550 -0.001 0.000 0.279 517 Y C 2.407 178.371 175.900 0.108 0.000 1.119 517 Y CA 1.842 60.021 58.100 0.130 0.000 1.101 517 Y CB -0.503 38.056 38.460 0.164 0.000 0.989 517 Y HN 0.191 nan 8.280 nan 0.000 0.484 518 M N 0.145 119.965 119.600 0.367 0.000 2.617 518 M HA -0.199 4.281 4.480 -0.001 0.000 0.258 518 M C 1.675 177.992 176.300 0.028 0.000 1.067 518 M CA 1.585 57.011 55.300 0.210 0.000 1.057 518 M CB -0.309 32.409 32.600 0.196 0.000 1.397 518 M HN 0.179 nan 8.290 nan 0.000 0.499 519 S N -0.410 115.269 115.700 -0.035 0.000 2.452 519 S HA -0.008 4.462 4.470 -0.001 0.000 0.225 519 S C 1.188 175.683 174.600 -0.175 0.000 1.057 519 S CA 0.149 58.299 58.200 -0.084 0.000 0.949 519 S CB -0.109 63.035 63.200 -0.094 0.000 0.836 519 S HN 0.347 nan 8.310 nan 0.000 0.518 520 D N 1.606 121.844 120.400 -0.270 0.000 2.330 520 D HA -0.148 4.491 4.640 -0.001 0.000 0.228 520 D C 1.410 177.326 176.300 -0.641 0.000 1.136 520 D CA 1.637 55.316 54.000 -0.536 0.000 0.983 520 D CB -0.575 39.793 40.800 -0.719 0.000 1.403 520 D HN 0.437 nan 8.370 nan 0.000 0.524 521 Y N 0.371 120.442 120.300 -0.381 0.000 2.680 521 Y HA 0.008 4.557 4.550 -0.001 0.000 0.303 521 Y C 0.761 176.542 175.900 -0.198 0.000 1.166 521 Y CA 0.441 58.353 58.100 -0.312 0.000 1.344 521 Y CB -0.581 37.602 38.460 -0.462 0.000 1.002 521 Y HN 0.111 nan 8.280 nan 0.000 0.537 522 N N 0.280 118.924 118.700 -0.093 0.000 2.699 522 N HA -0.161 4.579 4.740 -0.001 0.000 0.257 522 N C -0.592 174.935 175.510 0.029 0.000 1.077 522 N CA 0.483 53.512 53.050 -0.035 0.000 0.702 522 N CB -0.798 37.665 38.487 -0.041 0.000 0.886 522 N HN 0.414 nan 8.380 nan 0.000 0.549 523 A N 0.437 123.307 122.820 0.083 0.000 2.309 523 A HA 0.744 5.063 4.320 -0.001 0.000 0.317 523 A C 0.561 178.234 177.584 0.148 0.000 1.134 523 A CA 0.145 52.274 52.037 0.154 0.000 0.866 523 A CB 1.112 20.297 19.000 0.309 0.000 1.329 523 A HN 0.618 nan 8.150 nan 0.000 0.477 524 S N -0.944 114.832 115.700 0.125 0.000 2.600 524 S HA 0.109 4.578 4.470 -0.001 0.000 0.265 524 S C 0.780 175.439 174.600 0.098 0.000 1.325 524 S CA 0.696 58.947 58.200 0.086 0.000 1.002 524 S CB 0.810 64.047 63.200 0.061 0.000 0.921 524 S HN 0.775 nan 8.310 nan 0.000 0.554 525 E N 1.160 121.398 120.200 0.063 0.000 2.072 525 E HA -0.097 4.253 4.350 -0.001 0.000 0.191 525 E C 2.292 178.901 176.600 0.016 0.000 0.985 525 E CA 1.025 57.454 56.400 0.048 0.000 0.801 525 E CB -0.550 29.170 29.700 0.034 0.000 0.750 525 E HN 0.839 nan 8.360 nan 0.000 0.452 526 A N 1.699 124.529 122.820 0.017 0.000 1.884 526 A HA -0.265 4.054 4.320 -0.001 0.000 0.219 526 A C 1.970 179.539 177.584 -0.026 0.000 1.197 526 A CA 1.831 53.868 52.037 0.001 0.000 0.637 526 A CB -0.639 18.368 19.000 0.012 0.000 0.827 526 A HN 0.221 nan 8.150 nan 0.000 0.450 527 E N -0.179 120.021 120.200 0.000 0.000 2.114 527 E HA -0.226 4.124 4.350 -0.001 0.000 0.199 527 E C 2.311 178.741 176.600 -0.283 0.000 1.008 527 E CA 1.489 57.882 56.400 -0.011 0.000 0.810 527 E CB -0.759 29.032 29.700 0.152 0.000 0.739 527 E HN 0.626 nan 8.360 nan 0.000 0.456 528 A N 1.394 124.010 122.820 -0.340 0.000 1.873 528 A HA -0.169 4.150 4.320 -0.001 0.000 0.215 528 A C 2.178 179.531 177.584 -0.386 0.000 1.186 528 A CA 1.372 52.931 52.037 -0.797 0.000 0.616 528 A CB -0.402 18.455 19.000 -0.238 0.000 0.823 528 A HN 0.142 nan 8.150 nan 0.000 0.442 529 R N -0.169 120.234 120.500 -0.162 0.000 2.112 529 R HA -0.212 4.128 4.340 -0.001 0.000 0.242 529 R C 2.396 178.658 176.300 -0.063 0.000 1.137 529 R CA 1.876 57.931 56.100 -0.074 0.000 0.944 529 R CB -0.479 29.805 30.300 -0.027 0.000 0.857 529 R HN 0.593 nan 8.270 nan 0.000 0.435 530 K N 0.236 120.600 120.400 -0.061 0.000 2.009 530 K HA -0.238 4.082 4.320 -0.001 0.000 0.210 530 K C 2.223 178.816 176.600 -0.012 0.000 1.049 530 K CA 1.644 57.923 56.287 -0.014 0.000 0.929 530 K CB -0.327 32.166 32.500 -0.012 0.000 0.714 530 K HN 0.348 nan 8.250 nan 0.000 0.440 531 H N 0.133 119.079 119.070 -0.207 0.000 2.252 531 H HA -0.155 4.400 4.556 -0.001 0.000 0.292 531 H C 1.954 177.349 175.328 0.113 0.000 1.082 531 H CA 2.283 58.252 56.048 -0.131 0.000 1.229 531 H CB -0.094 29.386 29.762 -0.471 0.000 1.353 531 H HN 0.071 nan 8.280 nan 0.000 0.488 532 V N 1.654 121.442 119.914 -0.209 0.000 2.688 532 V HA -0.224 3.895 4.120 -0.001 0.000 0.256 532 V C 2.446 178.520 176.094 -0.033 0.000 1.084 532 V CA 1.617 63.852 62.300 -0.108 0.000 1.103 532 V CB -0.406 31.411 31.823 -0.010 0.000 0.688 532 V HN 0.397 nan 8.190 nan 0.000 0.480 533 K N -1.184 119.225 120.400 0.015 0.000 2.007 533 K HA -0.211 4.109 4.320 -0.001 0.000 0.206 533 K C 1.938 178.600 176.600 0.103 0.000 1.047 533 K CA 1.678 58.011 56.287 0.076 0.000 0.937 533 K CB -0.346 32.221 32.500 0.112 0.000 0.718 533 K HN 0.614 nan 8.250 nan 0.000 0.438 534 W N 2.335 123.577 121.300 -0.098 0.000 2.304 534 W HA -0.290 4.370 4.660 -0.001 0.000 0.315 534 W C 1.665 178.113 176.519 -0.118 0.000 1.233 534 W CA 1.217 58.509 57.345 -0.087 0.000 1.261 534 W CB -0.462 28.925 29.460 -0.121 0.000 1.150 534 W HN -0.039 nan 8.180 nan 0.000 0.494 535 L N 0.993 122.081 121.223 -0.225 0.000 2.021 535 L HA -0.280 4.059 4.340 -0.001 0.000 0.215 535 L C 2.478 179.120 176.870 -0.380 0.000 1.074 535 L CA 2.042 56.604 54.840 -0.464 0.000 0.760 535 L CB -1.402 40.532 42.059 -0.209 0.000 0.889 535 L HN 0.171 nan 8.230 nan 0.000 0.433 536 I N -1.306 119.147 120.570 -0.194 0.000 2.208 536 I HA -0.344 3.825 4.170 -0.001 0.000 0.245 536 I C 2.553 178.580 176.117 -0.149 0.000 1.097 536 I CA 1.152 62.368 61.300 -0.140 0.000 1.363 536 I CB -0.761 37.195 38.000 -0.072 0.000 1.051 536 I HN 0.282 nan 8.210 nan 0.000 0.413 537 A N 0.780 123.528 122.820 -0.121 0.000 1.859 537 A HA -0.287 4.033 4.320 -0.001 0.000 0.217 537 A C 2.201 179.740 177.584 -0.074 0.000 1.198 537 A CA 2.164 54.215 52.037 0.024 0.000 0.629 537 A CB -0.721 18.306 19.000 0.046 0.000 0.830 537 A HN 0.337 nan 8.150 nan 0.000 0.446 538 E N -0.715 119.276 120.200 -0.348 0.000 2.118 538 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 538 E C 1.997 178.362 176.600 -0.391 0.000 0.992 538 E CA 1.573 57.700 56.400 -0.455 0.000 0.804 538 E CB -0.303 28.890 29.700 -0.845 0.000 0.741 538 E HN 0.601 nan 8.360 nan 0.000 0.458 539 V N -2.478 117.221 119.914 -0.357 0.000 3.052 539 V HA 0.005 4.125 4.120 -0.001 0.000 0.254 539 V C 1.816 177.704 176.094 -0.344 0.000 1.100 539 V CA 0.616 62.662 62.300 -0.423 0.000 1.112 539 V CB -0.685 30.975 31.823 -0.272 0.000 0.738 539 V HN 0.338 nan 8.190 nan 0.000 0.469 540 W N 1.282 122.403 121.300 -0.299 0.000 2.338 540 W HA -0.069 4.591 4.660 -0.001 0.000 0.304 540 W C 2.636 179.077 176.519 -0.130 0.000 1.212 540 W CA 2.357 59.576 57.345 -0.210 0.000 1.264 540 W CB 0.052 29.378 29.460 -0.224 0.000 1.142 540 W HN 0.126 nan 8.180 nan 0.000 0.512 541 K N 0.184 120.635 120.400 0.084 0.000 2.032 541 K HA -0.233 4.087 4.320 -0.001 0.000 0.209 541 K C 1.861 178.348 176.600 -0.188 0.000 1.048 541 K CA 1.722 58.003 56.287 -0.010 0.000 0.927 541 K CB -0.446 32.006 32.500 -0.081 0.000 0.712 541 K HN 0.158 nan 8.250 nan 0.000 0.441 542 K N 0.482 120.617 120.400 -0.441 0.000 2.074 542 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 542 K C 2.161 178.319 176.600 -0.738 0.000 1.048 542 K CA 1.791 57.568 56.287 -0.850 0.000 0.926 542 K CB -0.128 31.418 32.500 -1.590 0.000 0.713 542 K HN 0.088 nan 8.250 nan 0.000 0.444 543 M N 0.940 120.255 119.600 -0.475 0.000 2.254 543 M HA -0.128 4.352 4.480 -0.001 0.000 0.265 543 M C 1.368 177.651 176.300 -0.028 0.000 1.066 543 M CA 1.617 56.801 55.300 -0.193 0.000 1.123 543 M CB -0.096 32.338 32.600 -0.278 0.000 1.388 543 M HN 0.117 nan 8.290 nan 0.000 0.425 544 N N 0.002 118.739 118.700 0.063 0.000 2.043 544 N HA -0.169 4.570 4.740 -0.001 0.000 0.193 544 N C 1.747 177.286 175.510 0.047 0.000 1.037 544 N CA 1.444 54.583 53.050 0.148 0.000 0.851 544 N CB -0.269 38.327 38.487 0.182 0.000 1.027 544 N HN 0.498 nan 8.380 nan 0.000 0.422 545 A N 1.337 124.147 122.820 -0.017 0.000 1.849 545 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 545 A C 2.065 179.665 177.584 0.025 0.000 1.202 545 A CA 2.052 54.082 52.037 -0.011 0.000 0.629 545 A CB -1.040 17.931 19.000 -0.048 0.000 0.834 545 A HN 0.375 nan 8.150 nan 0.000 0.447 546 E N 0.438 120.662 120.200 0.040 0.000 2.136 546 E HA -0.284 4.066 4.350 -0.001 0.000 0.202 546 E C 2.098 178.769 176.600 0.118 0.000 1.019 546 E CA 2.299 58.781 56.400 0.136 0.000 0.819 546 E CB -0.328 29.535 29.700 0.271 0.000 0.739 546 E HN 0.767 nan 8.360 nan 0.000 0.458 547 R N -0.617 119.931 120.500 0.080 0.000 2.090 547 R HA 0.006 4.345 4.340 -0.001 0.000 0.228 547 R C 1.669 177.989 176.300 0.034 0.000 1.110 547 R CA 1.367 57.501 56.100 0.057 0.000 0.973 547 R CB -0.496 29.829 30.300 0.041 0.000 0.869 547 R HN 0.072 nan 8.270 nan 0.000 0.440 548 V N 1.285 121.215 119.914 0.026 0.000 3.570 548 V HA 0.040 4.159 4.120 -0.001 0.000 0.293 548 V C 0.379 176.475 176.094 0.005 0.000 1.237 548 V CA 0.458 62.754 62.300 -0.007 0.000 1.226 548 V CB -1.635 30.176 31.823 -0.020 0.000 1.028 548 V HN 0.600 nan 8.190 nan 0.000 0.430 549 S N 0.935 116.653 115.700 0.030 0.000 3.618 549 S HA -0.074 4.395 4.470 -0.001 0.000 0.741 549 S C 0.073 174.705 174.600 0.053 0.000 0.965 549 S CA 0.319 58.543 58.200 0.039 0.000 1.137 549 S CB -0.387 62.823 63.200 0.018 0.000 0.686 549 S HN 1.062 nan 8.310 nan 0.000 0.388 550 K N 0.957 121.389 120.400 0.053 0.000 2.652 550 K HA 0.314 4.633 4.320 -0.001 0.000 0.169 550 K C -0.640 175.976 176.600 0.027 0.000 1.238 550 K CA 0.400 56.721 56.287 0.056 0.000 1.147 550 K CB -0.232 32.329 32.500 0.103 0.000 0.985 550 K HN 0.581 nan 8.250 nan 0.000 0.508 551 D N 0.609 121.017 120.400 0.013 0.000 2.739 551 D HA -0.145 4.495 4.640 -0.001 0.000 0.240 551 D C -0.722 175.558 176.300 -0.033 0.000 1.114 551 D CA 1.090 55.086 54.000 -0.007 0.000 0.695 551 D CB -1.709 39.088 40.800 -0.006 0.000 1.078 551 D HN 0.340 nan 8.370 nan 0.000 0.434 552 S N 0.340 116.023 115.700 -0.028 0.000 2.558 552 S HA 0.185 4.654 4.470 -0.001 0.000 0.288 552 S C -0.875 173.589 174.600 -0.226 0.000 1.318 552 S CA -0.675 57.473 58.200 -0.087 0.000 1.056 552 S CB 1.049 64.258 63.200 0.015 0.000 0.853 552 S HN 0.097 nan 8.310 nan 0.000 0.505 553 P HA 0.177 nan 4.420 nan 0.000 0.239 553 P C -0.329 176.762 177.300 -0.349 0.000 1.188 553 P CA 0.212 63.021 63.100 -0.484 0.000 0.794 553 P CB 0.098 31.408 31.700 -0.649 0.000 0.937 554 F N 1.196 121.128 119.950 -0.029 0.000 2.456 554 F HA 0.439 4.965 4.527 -0.001 0.000 0.358 554 F C 1.795 177.656 175.800 0.101 0.000 1.095 554 F CA -1.014 57.026 58.000 0.065 0.000 1.216 554 F CB -0.532 38.584 39.000 0.193 0.000 1.125 554 F HN -0.151 nan 8.300 nan 0.000 0.549 555 G N 2.590 111.586 108.800 0.328 0.000 2.651 555 G HA2 0.237 4.196 3.960 -0.001 0.000 0.260 555 G HA3 0.237 4.196 3.960 -0.001 0.000 0.260 555 G C 0.722 175.738 174.900 0.193 0.000 1.216 555 G CA -0.589 44.629 45.100 0.197 0.000 0.913 555 G HN 0.695 nan 8.290 nan 0.000 0.535 556 K N 0.045 120.516 120.400 0.118 0.000 1.990 556 K HA -0.194 4.125 4.320 -0.001 0.000 0.225 556 K C 1.619 178.266 176.600 0.078 0.000 1.053 556 K CA 2.140 58.476 56.287 0.081 0.000 0.982 556 K CB -0.544 31.992 32.500 0.061 0.000 0.734 556 K HN 0.302 nan 8.250 nan 0.000 0.448 557 D N -0.448 120.017 120.400 0.107 0.000 2.144 557 D HA -0.128 4.512 4.640 -0.001 0.000 0.199 557 D C 1.761 178.103 176.300 0.070 0.000 0.984 557 D CA 0.932 55.002 54.000 0.117 0.000 0.834 557 D CB -0.337 40.624 40.800 0.269 0.000 0.955 557 D HN 0.191 nan 8.370 nan 0.000 0.465 558 F N 2.031 121.949 119.950 -0.053 0.000 2.031 558 F HA -0.198 4.329 4.527 -0.001 0.000 0.295 558 F C 2.249 177.976 175.800 -0.123 0.000 1.133 558 F CA 1.295 59.228 58.000 -0.111 0.000 1.188 558 F CB -0.776 38.173 39.000 -0.084 0.000 0.974 558 F HN -0.049 nan 8.300 nan 0.000 0.473 559 I N 0.703 121.146 120.570 -0.212 0.000 2.300 559 I HA -0.145 4.024 4.170 -0.001 0.000 0.252 559 I C 2.209 178.124 176.117 -0.337 0.000 1.119 559 I CA 2.198 63.284 61.300 -0.356 0.000 1.384 559 I CB -1.542 36.434 38.000 -0.039 0.000 1.062 559 I HN 0.172 nan 8.210 nan 0.000 0.426 560 G N -0.281 108.394 108.800 -0.209 0.000 2.422 560 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 560 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 560 G C 1.495 176.272 174.900 -0.204 0.000 1.140 560 G CA 0.965 45.975 45.100 -0.150 0.000 0.775 560 G HN 0.593 nan 8.290 nan 0.000 0.545 561 C N 0.775 119.899 119.300 -0.293 0.000 2.466 561 C HA 0.258 4.718 4.460 -0.001 0.000 0.278 561 C C 3.497 178.264 174.990 -0.372 0.000 1.288 561 C CA 0.584 59.429 59.018 -0.289 0.000 1.722 561 C CB -0.916 26.648 27.740 -0.294 0.000 2.017 561 C HN 0.570 nan 8.230 nan 0.000 0.488 562 A N 0.917 123.388 122.820 -0.582 0.000 1.859 562 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 562 A C 2.263 179.633 177.584 -0.356 0.000 1.198 562 A CA 2.609 54.331 52.037 -0.525 0.000 0.629 562 A CB -0.991 17.629 19.000 -0.632 0.000 0.830 562 A HN 0.375 nan 8.150 nan 0.000 0.446 563 V N 0.582 120.315 119.914 -0.302 0.000 2.490 563 V HA -0.221 3.898 4.120 -0.001 0.000 0.250 563 V C 1.934 177.929 176.094 -0.164 0.000 1.061 563 V CA 2.165 64.311 62.300 -0.257 0.000 1.064 563 V CB -0.798 30.960 31.823 -0.108 0.000 0.670 563 V HN 0.504 nan 8.190 nan 0.000 0.461 564 D N -0.361 119.956 120.400 -0.137 0.000 2.269 564 D HA -0.073 4.567 4.640 -0.001 0.000 0.208 564 D C 1.922 178.171 176.300 -0.085 0.000 0.963 564 D CA 0.697 54.644 54.000 -0.088 0.000 0.864 564 D CB 0.167 40.904 40.800 -0.104 0.000 0.936 564 D HN 0.370 nan 8.370 nan 0.000 0.505 565 L N 1.036 122.184 121.223 -0.125 0.000 1.988 565 L HA 0.033 4.373 4.340 -0.001 0.000 0.207 565 L C 2.292 179.145 176.870 -0.028 0.000 1.071 565 L CA 2.034 56.831 54.840 -0.071 0.000 0.744 565 L CB -1.068 40.902 42.059 -0.149 0.000 0.893 565 L HN 0.020 nan 8.230 nan 0.000 0.433 566 G N -0.651 108.072 108.800 -0.129 0.000 2.485 566 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.221 566 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.221 566 G C 1.714 176.645 174.900 0.051 0.000 1.115 566 G CA 0.717 45.734 45.100 -0.138 0.000 0.751 566 G HN 0.332 nan 8.290 nan 0.000 0.567 567 R N -0.892 119.654 120.500 0.076 0.000 2.052 567 R HA 0.145 4.484 4.340 -0.001 0.000 0.226 567 R C 2.493 178.804 176.300 0.019 0.000 1.145 567 R CA 1.149 57.324 56.100 0.125 0.000 0.952 567 R CB -0.685 29.666 30.300 0.085 0.000 0.847 567 R HN 0.424 nan 8.270 nan 0.000 0.431 568 M N 0.990 120.567 119.600 -0.038 0.000 2.267 568 M HA -0.092 4.387 4.480 -0.001 0.000 0.263 568 M C 2.026 178.220 176.300 -0.176 0.000 1.063 568 M CA 1.544 56.744 55.300 -0.167 0.000 1.090 568 M CB -0.124 32.353 32.600 -0.204 0.000 1.392 568 M HN 0.184 nan 8.290 nan 0.000 0.422 569 A N -0.710 122.184 122.820 0.122 0.000 1.933 569 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 569 A C 2.033 179.701 177.584 0.141 0.000 1.175 569 A CA 1.761 53.948 52.037 0.250 0.000 0.628 569 A CB -0.702 18.549 19.000 0.417 0.000 0.814 569 A HN 0.654 nan 8.150 nan 0.000 0.444 570 Q N -0.940 118.931 119.800 0.119 0.000 2.291 570 Q HA -0.028 4.311 4.340 -0.001 0.000 0.206 570 Q C 1.946 177.995 176.000 0.081 0.000 0.976 570 Q CA 1.181 57.068 55.803 0.140 0.000 0.875 570 Q CB -0.160 28.656 28.738 0.131 0.000 0.927 570 Q HN 0.800 nan 8.270 nan 0.000 0.450 571 L N -1.214 119.971 121.223 -0.063 0.000 2.121 571 L HA -0.066 4.274 4.340 -0.001 0.000 0.200 571 L C 2.006 178.808 176.870 -0.113 0.000 1.077 571 L CA 0.547 55.322 54.840 -0.109 0.000 0.766 571 L CB -0.110 41.839 42.059 -0.184 0.000 0.931 571 L HN 0.234 nan 8.230 nan 0.000 0.452 572 M N 0.056 119.441 119.600 -0.357 0.000 2.108 572 M HA -0.255 4.225 4.480 -0.001 0.000 0.257 572 M C 0.821 176.924 176.300 -0.328 0.000 1.071 572 M CA 1.968 56.943 55.300 -0.542 0.000 1.093 572 M CB -0.530 31.326 32.600 -1.241 0.000 1.345 572 M HN 0.313 nan 8.290 nan 0.000 0.403 573 Y N -2.701 117.654 120.300 0.092 0.000 2.774 573 Y HA 0.190 4.739 4.550 -0.001 0.000 0.305 573 Y C 1.397 177.381 175.900 0.139 0.000 1.067 573 Y CA -0.360 57.821 58.100 0.135 0.000 1.304 573 Y CB -1.119 37.435 38.460 0.157 0.000 1.209 573 Y HN 0.318 nan 8.280 nan 0.000 0.543 574 H N -0.334 118.818 119.070 0.138 0.000 2.563 574 H HA 0.130 4.685 4.556 -0.001 0.000 0.264 574 H C 0.435 175.824 175.328 0.102 0.000 0.957 574 H CA 1.000 57.113 56.048 0.108 0.000 1.173 574 H CB 0.455 30.253 29.762 0.061 0.000 1.420 574 H HN 0.281 nan 8.280 nan 0.000 0.551 575 N N -1.163 117.604 118.700 0.112 0.000 2.075 575 N HA 0.277 5.017 4.740 -0.001 0.000 0.226 575 N C 0.112 175.678 175.510 0.094 0.000 1.343 575 N CA 0.433 53.519 53.050 0.060 0.000 0.881 575 N CB 2.049 40.608 38.487 0.120 0.000 1.100 575 N HN 0.383 nan 8.380 nan 0.000 0.495 576 G N 0.697 109.589 108.800 0.152 0.000 2.466 576 G HA2 0.030 3.989 3.960 -0.001 0.000 0.316 576 G HA3 0.030 3.989 3.960 -0.001 0.000 0.316 576 G C -1.730 173.293 174.900 0.206 0.000 1.270 576 G CA -0.387 44.827 45.100 0.190 0.000 0.982 576 G HN 0.162 nan 8.290 nan 0.000 0.506 577 D N -0.201 120.322 120.400 0.206 0.000 3.241 577 D HA 0.155 4.794 4.640 -0.001 0.000 0.248 577 D C 1.491 177.953 176.300 0.270 0.000 1.093 577 D CA 2.643 56.753 54.000 0.183 0.000 0.940 577 D CB -1.209 39.650 40.800 0.098 0.000 0.980 577 D HN 2.334 nan 8.370 nan 0.000 0.421 578 G N 1.859 110.906 108.800 0.413 0.000 2.531 578 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.477 578 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.477 578 G C 0.701 175.967 174.900 0.611 0.000 1.342 578 G CA 0.683 46.182 45.100 0.665 0.000 0.911 578 G HN 0.844 nan 8.290 nan 0.000 0.532 579 H N 0.957 120.311 119.070 0.473 0.000 2.787 579 H HA 0.437 4.992 4.556 -0.001 0.000 0.302 579 H C 0.920 176.455 175.328 0.345 0.000 1.098 579 H CA 0.602 56.955 56.048 0.507 0.000 1.192 579 H CB -1.040 29.194 29.762 0.788 0.000 1.316 579 H HN 2.212 nan 8.280 nan 0.000 0.590 580 G N -0.877 108.050 108.800 0.211 0.000 3.055 580 G HA2 0.006 3.965 3.960 -0.001 0.000 0.685 580 G HA3 0.006 3.965 3.960 -0.001 0.000 0.685 580 G C -0.386 174.589 174.900 0.124 0.000 1.212 580 G CA -0.122 45.043 45.100 0.109 0.000 0.822 580 G HN 0.405 nan 8.290 nan 0.000 0.610 581 T N 1.000 115.537 114.554 -0.028 0.000 3.759 581 T HA 0.107 4.457 4.350 -0.001 0.000 0.245 581 T C 1.312 175.871 174.700 -0.236 0.000 0.867 581 T CA 0.908 63.058 62.100 0.083 0.000 1.116 581 T CB -0.011 68.984 68.868 0.213 0.000 1.028 581 T HN 0.508 nan 8.240 nan 0.000 0.381 582 Q N 0.255 119.873 119.800 -0.302 0.000 2.118 582 Q HA 0.206 4.545 4.340 -0.001 0.000 0.219 582 Q C -0.716 175.032 176.000 -0.420 0.000 0.794 582 Q CA 0.007 55.519 55.803 -0.484 0.000 1.035 582 Q CB 0.493 29.176 28.738 -0.092 0.000 1.177 582 Q HN 0.762 nan 8.270 nan 0.000 0.478 583 H N -2.646 116.512 119.070 0.146 0.000 2.635 583 H HA -0.216 4.340 4.556 -0.001 0.000 0.314 583 H C -2.041 173.364 175.328 0.129 0.000 1.071 583 H CA 0.755 56.892 56.048 0.148 0.000 1.144 583 H CB -2.447 27.438 29.762 0.205 0.000 1.405 583 H HN 0.240 nan 8.280 nan 0.000 0.398 584 P HA -0.314 nan 4.420 nan 0.000 0.245 584 P C 1.196 178.585 177.300 0.148 0.000 0.756 584 P CA 2.230 65.417 63.100 0.146 0.000 1.075 584 P CB 0.048 31.825 31.700 0.129 0.000 0.774 585 I N -2.953 117.708 120.570 0.152 0.000 4.026 585 I HA 0.132 4.302 4.170 -0.001 0.000 0.324 585 I C 1.218 177.418 176.117 0.139 0.000 1.474 585 I CA -0.137 61.252 61.300 0.149 0.000 1.107 585 I CB -0.051 38.020 38.000 0.119 0.000 1.345 585 I HN -0.139 nan 8.210 nan 0.000 0.531 586 I N 0.374 121.035 120.570 0.151 0.000 2.928 586 I HA -0.129 4.041 4.170 -0.001 0.000 0.266 586 I C 2.266 178.422 176.117 0.065 0.000 1.234 586 I CA 1.023 62.376 61.300 0.088 0.000 1.483 586 I CB -1.259 36.803 38.000 0.104 0.000 1.097 586 I HN 0.359 nan 8.210 nan 0.000 0.455 587 H N 0.876 119.989 119.070 0.072 0.000 2.524 587 H HA -0.058 4.498 4.556 -0.001 0.000 0.282 587 H C 1.901 177.264 175.328 0.058 0.000 1.016 587 H CA 0.904 57.008 56.048 0.094 0.000 1.270 587 H CB 0.583 30.383 29.762 0.063 0.000 1.394 587 H HN 0.302 nan 8.280 nan 0.000 0.568 588 Q N 0.789 120.673 119.800 0.139 0.000 2.036 588 Q HA -0.099 4.241 4.340 -0.001 0.000 0.195 588 Q C 2.348 178.329 176.000 -0.032 0.000 0.971 588 Q CA 1.161 57.019 55.803 0.092 0.000 0.826 588 Q CB 0.048 28.849 28.738 0.104 0.000 0.896 588 Q HN 0.736 nan 8.270 nan 0.000 0.449 589 Q N -0.453 119.308 119.800 -0.064 0.000 2.234 589 Q HA -0.169 4.171 4.340 -0.001 0.000 0.206 589 Q C 1.993 177.807 176.000 -0.309 0.000 0.980 589 Q CA 1.248 56.990 55.803 -0.103 0.000 0.869 589 Q CB -0.326 28.391 28.738 -0.035 0.000 0.912 589 Q HN 0.287 nan 8.270 nan 0.000 0.436 590 M N 1.514 120.810 119.600 -0.505 0.000 2.073 590 M HA -0.135 4.345 4.480 -0.001 0.000 0.259 590 M C 2.443 178.339 176.300 -0.674 0.000 1.079 590 M CA 2.087 56.831 55.300 -0.927 0.000 1.131 590 M CB -0.083 31.935 32.600 -0.971 0.000 1.316 590 M HN 0.382 nan 8.290 nan 0.000 0.415 591 T N -1.808 112.531 114.554 -0.358 0.000 2.929 591 T HA -0.173 4.176 4.350 -0.001 0.000 0.271 591 T C 1.694 176.371 174.700 -0.038 0.000 1.085 591 T CA 1.432 63.492 62.100 -0.066 0.000 1.125 591 T CB -0.405 68.602 68.868 0.233 0.000 0.874 591 T HN 0.330 nan 8.240 nan 0.000 0.494 592 R N 0.467 120.922 120.500 -0.075 0.000 2.093 592 R HA 0.117 4.457 4.340 -0.001 0.000 0.224 592 R C 2.283 178.567 176.300 -0.027 0.000 1.101 592 R CA 1.521 57.621 56.100 -0.001 0.000 0.979 592 R CB -0.693 29.615 30.300 0.014 0.000 0.877 592 R HN 0.356 nan 8.270 nan 0.000 0.441 593 T N -0.711 113.770 114.554 -0.121 0.000 3.069 593 T HA 0.222 4.571 4.350 -0.001 0.000 0.252 593 T C 0.509 175.180 174.700 -0.047 0.000 1.053 593 T CA 0.047 62.123 62.100 -0.040 0.000 0.964 593 T CB 0.176 69.064 68.868 0.033 0.000 1.005 593 T HN 0.053 nan 8.240 nan 0.000 0.532 594 L N -1.025 120.013 121.223 -0.308 0.000 2.663 594 L HA 0.510 4.849 4.340 -0.001 0.000 0.218 594 L C 0.830 177.507 176.870 -0.321 0.000 1.043 594 L CA 1.019 55.568 54.840 -0.484 0.000 0.876 594 L CB 0.092 41.410 42.059 -1.234 0.000 1.263 594 L HN 0.195 nan 8.230 nan 0.000 0.486 595 F N -0.744 119.202 119.950 -0.007 0.000 2.532 595 F HA 0.300 4.826 4.527 -0.001 0.000 0.278 595 F C 1.103 176.978 175.800 0.125 0.000 0.975 595 F CA -0.762 57.285 58.000 0.079 0.000 1.292 595 F CB -0.509 38.564 39.000 0.121 0.000 1.112 595 F HN -0.143 nan 8.300 nan 0.000 0.703 596 E N 4.148 124.527 120.200 0.298 0.000 2.351 596 E HA 0.118 4.468 4.350 -0.001 0.000 0.266 596 E C -2.431 174.281 176.600 0.186 0.000 1.031 596 E CA -1.972 54.558 56.400 0.216 0.000 0.911 596 E CB 0.687 30.496 29.700 0.181 0.000 0.986 596 E HN -0.068 nan 8.360 nan 0.000 0.446 597 P HA 0.140 nan 4.420 nan 0.000 0.278 597 P C -1.067 176.364 177.300 0.218 0.000 1.258 597 P CA -0.277 62.941 63.100 0.196 0.000 0.811 597 P CB 0.521 32.354 31.700 0.222 0.000 1.063 598 F N 0.356 120.320 119.950 0.024 0.000 2.399 598 F HA 0.537 5.064 4.527 -0.001 0.000 0.334 598 F C 0.904 176.727 175.800 0.038 0.000 1.097 598 F CA -0.457 57.551 58.000 0.014 0.000 1.076 598 F CB 1.125 40.107 39.000 -0.029 0.000 1.162 598 F HN 0.406 nan 8.300 nan 0.000 0.495 599 A N 0.000 122.508 122.820 -0.520 0.000 2.254 599 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 599 A CA 0.000 51.817 52.037 -0.366 0.000 0.836 599 A CB 0.000 18.690 19.000 -0.516 0.000 0.831 599 A HN 0.000 nan 8.150 nan 0.000 0.486