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 2jbp_1_B DATA FIRST_RESID 46 DATA SEQUENCE FHVKSGLQIK KNAIIDDYKV TSQVLGLGIN GKVLQIFNKR TQEKFALKML DATA SEQUENCE QDCPKARREV ELHWRASQCP HIVRIVDVYE NLYAGRKCLL IVMECLDGGE DATA SEQUENCE LFSRIQDRGD QAFTEREASE IMKSIGEAIQ YLHSINIAHR DVKPENLLYT DATA SEQUENCE SKRPNAILKL TDFGFAKETT XXXXXXXXXX XPYYVAPEVL GPEKYDKSCD DATA SEQUENCE MWSLGVIMYI LLCGYPPFYS NXXXXISPGM KTRIRMGQYE FPNPEWSEVS DATA SEQUENCE EEVKMLIRNL LKTEPTQRMT ITEFMNHPWI MQSTKVPQTP LHTSRVLKED DATA SEQUENCE KERWE 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 46 F HA 0.000 nan 4.527 nan 0.000 0.279 46 F C 0.000 175.804 175.800 0.007 0.000 0.967 46 F CA 0.000 57.943 58.000 -0.094 0.000 1.383 46 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 47 H N 4.336 123.340 119.070 -0.109 0.000 2.418 47 H HA 0.396 4.952 4.556 -0.000 0.000 0.238 47 H C -0.856 174.325 175.328 -0.245 0.000 1.403 47 H CA -0.317 55.653 56.048 -0.130 0.000 1.419 47 H CB 1.336 31.072 29.762 -0.044 0.000 1.463 47 H HN 0.301 nan 8.280 nan 0.000 0.515 48 V N 2.817 122.632 119.914 -0.165 0.000 2.459 48 V HA 0.517 4.637 4.120 -0.000 0.000 0.295 48 V C -0.831 175.231 176.094 -0.054 0.000 1.029 48 V CA -0.539 61.658 62.300 -0.173 0.000 0.874 48 V CB 1.420 33.071 31.823 -0.287 0.000 0.985 48 V HN 0.313 nan 8.190 nan 0.000 0.438 49 K N 3.547 123.929 120.400 -0.031 0.000 2.350 49 K HA 0.502 4.822 4.320 -0.000 0.000 0.241 49 K C -0.211 176.428 176.600 0.066 0.000 0.994 49 K CA -0.519 55.769 56.287 0.001 0.000 0.839 49 K CB 1.828 34.301 32.500 -0.045 0.000 1.244 49 K HN 0.772 nan 8.250 nan 0.000 0.443 50 S N -0.060 115.712 115.700 0.120 0.000 2.573 50 S HA 0.254 4.724 4.470 -0.000 0.000 0.277 50 S C 0.508 175.299 174.600 0.319 0.000 1.346 50 S CA 0.022 58.331 58.200 0.182 0.000 1.034 50 S CB 0.203 63.513 63.200 0.184 0.000 0.879 50 S HN 0.592 nan 8.310 nan 0.000 0.528 51 G N 1.556 110.467 108.800 0.185 0.000 2.588 51 G HA2 0.466 4.426 3.960 -0.000 0.000 0.281 51 G HA3 0.466 4.426 3.960 -0.000 0.000 0.281 51 G C -0.773 174.018 174.900 -0.181 0.000 1.236 51 G CA -0.793 44.386 45.100 0.131 0.000 0.969 51 G HN 0.761 nan 8.290 nan 0.000 0.504 52 L N -0.128 120.770 121.223 -0.542 0.000 2.278 52 L HA 0.422 4.762 4.340 -0.000 0.000 0.287 52 L C 0.082 176.624 176.870 -0.546 0.000 1.072 52 L CA -0.545 53.674 54.840 -1.035 0.000 0.819 52 L CB 1.315 42.663 42.059 -1.185 0.000 1.176 52 L HN 0.420 nan 8.230 nan 0.000 0.435 53 Q N 5.294 124.807 119.800 -0.478 0.000 2.456 53 Q HA 0.341 4.681 4.340 -0.000 0.000 0.234 53 Q C -0.844 174.973 176.000 -0.305 0.000 1.061 53 Q CA -0.396 55.226 55.803 -0.301 0.000 0.896 53 Q CB 0.182 28.790 28.738 -0.216 0.000 1.233 53 Q HN 0.548 nan 8.270 nan 0.000 0.506 54 I N 3.750 124.163 120.570 -0.261 0.000 2.587 54 I HA 0.012 4.182 4.170 -0.000 0.000 0.284 54 I C 0.660 176.657 176.117 -0.200 0.000 1.134 54 I CA 0.333 61.492 61.300 -0.235 0.000 1.410 54 I CB 0.103 38.006 38.000 -0.162 0.000 1.392 54 I HN 0.519 nan 8.210 nan 0.000 0.545 55 K N 6.549 126.783 120.400 -0.277 0.000 2.270 55 K HA 0.154 4.474 4.320 -0.000 0.000 0.276 55 K C 0.797 177.394 176.600 -0.004 0.000 1.023 55 K CA -0.525 55.644 56.287 -0.197 0.000 0.955 55 K CB 1.394 33.623 32.500 -0.450 0.000 0.975 55 K HN 0.344 nan 8.250 nan 0.000 0.471 56 K N 1.217 121.646 120.400 0.048 0.000 2.367 56 K HA 0.019 4.339 4.320 -0.000 0.000 0.195 56 K C 0.339 177.009 176.600 0.117 0.000 1.060 56 K CA 0.153 56.489 56.287 0.081 0.000 1.022 56 K CB 0.014 32.533 32.500 0.031 0.000 0.894 56 K HN 0.683 nan 8.250 nan 0.000 0.540 57 N N 2.034 120.821 118.700 0.144 0.000 2.441 57 N HA 0.024 4.764 4.740 -0.000 0.000 0.251 57 N C -0.002 175.554 175.510 0.078 0.000 1.242 57 N CA 0.075 53.188 53.050 0.106 0.000 0.898 57 N CB 0.600 39.146 38.487 0.099 0.000 1.100 57 N HN -0.072 nan 8.380 nan 0.000 0.443 58 A N 1.914 124.743 122.820 0.015 0.000 2.603 58 A HA -0.087 4.233 4.320 -0.000 0.000 0.235 58 A C 1.409 178.902 177.584 -0.152 0.000 1.035 58 A CA -0.203 51.809 52.037 -0.041 0.000 0.755 58 A CB -0.286 18.701 19.000 -0.023 0.000 0.954 58 A HN 0.901 nan 8.150 nan 0.000 0.511 59 I N 2.779 123.172 120.570 -0.294 0.000 2.761 59 I HA -0.127 4.043 4.170 -0.000 0.000 0.261 59 I C 1.821 177.798 176.117 -0.233 0.000 1.198 59 I CA 1.233 62.173 61.300 -0.600 0.000 1.482 59 I CB -0.137 37.439 38.000 -0.706 0.000 1.100 59 I HN 0.828 nan 8.210 nan 0.000 0.445 60 I N -1.620 118.880 120.570 -0.116 0.000 2.493 60 I HA -0.201 3.969 4.170 -0.000 0.000 0.254 60 I C 1.618 177.713 176.117 -0.036 0.000 1.160 60 I CA 1.003 62.281 61.300 -0.037 0.000 1.445 60 I CB -1.139 36.852 38.000 -0.015 0.000 1.086 60 I HN 0.075 nan 8.210 nan 0.000 0.433 61 D N 2.353 122.724 120.400 -0.048 0.000 2.200 61 D HA -0.240 4.400 4.640 -0.000 0.000 0.192 61 D C 1.428 177.686 176.300 -0.070 0.000 1.008 61 D CA 2.005 55.980 54.000 -0.041 0.000 0.872 61 D CB -0.324 40.461 40.800 -0.026 0.000 0.923 61 D HN 0.548 nan 8.370 nan 0.000 0.447 62 D N -2.209 118.126 120.400 -0.107 0.000 2.454 62 D HA 0.078 4.718 4.640 -0.000 0.000 0.214 62 D C -0.172 175.841 176.300 -0.478 0.000 1.088 62 D CA 0.089 53.926 54.000 -0.271 0.000 0.855 62 D CB 0.502 41.126 40.800 -0.293 0.000 1.025 62 D HN 0.256 nan 8.370 nan 0.000 0.502 63 Y N 0.140 120.410 120.300 -0.049 0.000 2.492 63 Y HA 0.321 4.871 4.550 -0.000 0.000 0.346 63 Y C -0.015 175.902 175.900 0.028 0.000 0.997 63 Y CA -1.395 56.703 58.100 -0.003 0.000 1.025 63 Y CB 1.722 40.153 38.460 -0.049 0.000 1.263 63 Y HN -0.435 nan 8.280 nan 0.000 0.454 64 K N 1.764 122.314 120.400 0.249 0.000 2.312 64 K HA 0.551 4.871 4.320 -0.000 0.000 0.287 64 K C -1.544 175.195 176.600 0.232 0.000 1.062 64 K CA -0.219 56.199 56.287 0.217 0.000 0.934 64 K CB 0.517 33.162 32.500 0.241 0.000 1.027 64 K HN 0.491 nan 8.250 nan 0.000 0.478 65 V N 5.484 125.481 119.914 0.138 0.000 2.318 65 V HA 0.196 4.316 4.120 -0.000 0.000 0.271 65 V C 0.602 176.752 176.094 0.093 0.000 1.030 65 V CA -0.628 61.724 62.300 0.087 0.000 0.844 65 V CB 0.526 32.361 31.823 0.020 0.000 1.015 65 V HN 1.027 nan 8.190 nan 0.000 0.460 66 T N 1.733 116.355 114.554 0.115 0.000 2.814 66 T HA 0.278 4.628 4.350 -0.000 0.000 0.284 66 T C 1.047 175.781 174.700 0.056 0.000 0.998 66 T CA 0.197 62.364 62.100 0.112 0.000 0.935 66 T CB 1.576 70.550 68.868 0.178 0.000 1.167 66 T HN 0.713 nan 8.240 nan 0.000 0.545 67 S N -1.241 114.491 115.700 0.054 0.000 2.559 67 S HA 0.148 4.618 4.470 -0.000 0.000 0.226 67 S C 0.706 175.326 174.600 0.033 0.000 1.000 67 S CA -0.419 57.801 58.200 0.033 0.000 0.948 67 S CB -0.523 62.697 63.200 0.033 0.000 0.870 67 S HN 0.899 nan 8.310 nan 0.000 0.497 68 Q N 2.298 122.125 119.800 0.045 0.000 2.256 68 Q HA 0.176 4.516 4.340 -0.000 0.000 0.281 68 Q C -0.493 175.520 176.000 0.021 0.000 1.162 68 Q CA -0.098 55.729 55.803 0.040 0.000 0.943 68 Q CB 0.338 29.110 28.738 0.056 0.000 1.195 68 Q HN 0.295 nan 8.270 nan 0.000 0.403 69 V N 6.914 126.839 119.914 0.020 0.000 2.439 69 V HA 0.039 4.159 4.120 -0.000 0.000 0.271 69 V C 0.284 176.388 176.094 0.017 0.000 1.040 69 V CA -0.315 61.993 62.300 0.014 0.000 1.002 69 V CB 0.278 32.111 31.823 0.016 0.000 1.000 69 V HN 0.820 nan 8.190 nan 0.000 0.477 70 L N 5.774 127.003 121.223 0.011 0.000 2.848 70 L HA 0.875 5.215 4.340 -0.000 0.000 0.240 70 L C 0.579 177.462 176.870 0.022 0.000 1.232 70 L CA 0.280 55.130 54.840 0.016 0.000 1.031 70 L CB -0.475 41.587 42.059 0.005 0.000 1.338 70 L HN 0.726 nan 8.230 nan 0.000 0.509 71 G N -0.591 108.222 108.800 0.023 0.000 2.329 71 G HA2 0.382 4.342 3.960 -0.000 0.000 0.308 71 G HA3 0.382 4.342 3.960 -0.000 0.000 0.308 71 G C -1.911 173.006 174.900 0.028 0.000 1.587 71 G CA -1.103 44.014 45.100 0.028 0.000 0.978 71 G HN 0.044 nan 8.290 nan 0.000 0.685 72 L N 0.851 122.092 121.223 0.029 0.000 2.334 72 L HA 0.822 5.162 4.340 -0.000 0.000 0.276 72 L C 1.097 177.994 176.870 0.045 0.000 1.014 72 L CA 0.059 54.919 54.840 0.033 0.000 0.815 72 L CB 2.024 44.100 42.059 0.028 0.000 1.268 72 L HN 0.978 nan 8.230 nan 0.000 0.428 73 G N 0.884 109.718 108.800 0.056 0.000 2.552 73 G HA2 0.433 4.393 3.960 -0.000 0.000 0.324 73 G HA3 0.433 4.393 3.960 -0.000 0.000 0.324 73 G C 0.715 175.671 174.900 0.095 0.000 1.217 73 G CA -0.442 44.707 45.100 0.082 0.000 0.989 73 G HN 0.736 nan 8.290 nan 0.000 0.490 74 I N -1.383 119.277 120.570 0.150 0.000 2.423 74 I HA -0.057 4.113 4.170 -0.000 0.000 0.254 74 I C 0.370 176.539 176.117 0.086 0.000 1.151 74 I CA 0.771 62.185 61.300 0.189 0.000 1.421 74 I CB -0.352 37.891 38.000 0.404 0.000 1.079 74 I HN 0.441 nan 8.210 nan 0.000 0.431 75 N N 0.920 119.657 118.700 0.061 0.000 2.577 75 N HA 0.471 5.211 4.740 -0.000 0.000 0.275 75 N C 0.041 175.570 175.510 0.033 0.000 1.091 75 N CA -0.232 52.836 53.050 0.030 0.000 0.843 75 N CB 1.299 39.789 38.487 0.005 0.000 1.295 75 N HN 0.467 nan 8.380 nan 0.000 0.530 76 G N 2.074 110.891 108.800 0.029 0.000 2.825 76 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.684 76 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.684 76 G C -0.194 174.721 174.900 0.024 0.000 1.528 76 G CA -0.342 44.771 45.100 0.021 0.000 0.963 76 G HN 0.839 nan 8.290 nan 0.000 0.577 77 K N -0.959 119.449 120.400 0.014 0.000 2.720 77 K HA 0.816 5.136 4.320 -0.000 0.000 0.281 77 K C -0.235 176.369 176.600 0.007 0.000 1.019 77 K CA -0.422 55.875 56.287 0.017 0.000 1.088 77 K CB 0.892 33.401 32.500 0.014 0.000 1.449 77 K HN 1.061 nan 8.250 nan 0.000 0.542 78 V N 1.142 121.060 119.914 0.007 0.000 2.638 78 V HA 0.417 4.537 4.120 -0.000 0.000 0.306 78 V C -0.330 175.757 176.094 -0.012 0.000 1.052 78 V CA -0.914 61.385 62.300 -0.001 0.000 0.885 78 V CB 1.525 33.357 31.823 0.015 0.000 0.999 78 V HN 0.563 nan 8.190 nan 0.000 0.424 79 L N 2.480 123.685 121.223 -0.030 0.000 2.319 79 L HA 0.653 4.993 4.340 -0.000 0.000 0.267 79 L C -0.254 176.582 176.870 -0.057 0.000 1.011 79 L CA -0.890 53.930 54.840 -0.034 0.000 0.818 79 L CB 1.873 43.909 42.059 -0.039 0.000 1.316 79 L HN 0.613 nan 8.230 nan 0.000 0.432 80 Q N 2.591 122.350 119.800 -0.068 0.000 2.314 80 Q HA 0.570 4.910 4.340 -0.000 0.000 0.258 80 Q C -0.890 174.985 176.000 -0.208 0.000 0.954 80 Q CA 0.037 55.745 55.803 -0.158 0.000 0.890 80 Q CB 1.013 29.661 28.738 -0.151 0.000 1.210 80 Q HN 0.523 nan 8.270 nan 0.000 0.410 81 I N -0.429 119.956 120.570 -0.309 0.000 2.994 81 I HA 0.638 4.808 4.170 -0.000 0.000 0.306 81 I C -1.522 174.404 176.117 -0.319 0.000 1.195 81 I CA -1.273 59.905 61.300 -0.203 0.000 1.001 81 I CB 1.887 39.858 38.000 -0.048 0.000 1.244 81 I HN 0.506 nan 8.210 nan 0.000 0.437 82 F N 1.613 121.712 119.950 0.248 0.000 2.520 82 F HA 0.404 4.930 4.527 -0.000 0.000 0.322 82 F C 0.366 176.366 175.800 0.333 0.000 1.103 82 F CA -0.601 57.570 58.000 0.286 0.000 0.926 82 F CB 1.665 40.760 39.000 0.158 0.000 1.154 82 F HN 0.577 nan 8.300 nan 0.000 0.453 83 N N 2.910 121.919 118.700 0.516 0.000 2.438 83 N HA 0.011 4.751 4.740 -0.000 0.000 0.267 83 N C 0.950 176.507 175.510 0.078 0.000 1.222 83 N CA -0.143 52.994 53.050 0.146 0.000 0.930 83 N CB 0.693 39.285 38.487 0.175 0.000 1.083 83 N HN 0.688 nan 8.380 nan 0.000 0.476 84 K N 2.261 122.626 120.400 -0.059 0.000 2.152 84 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 84 K C 1.891 178.482 176.600 -0.015 0.000 1.048 84 K CA 0.993 57.273 56.287 -0.012 0.000 0.933 84 K CB 0.122 32.590 32.500 -0.054 0.000 0.721 84 K HN 0.530 nan 8.250 nan 0.000 0.447 85 R N -0.242 120.229 120.500 -0.049 0.000 2.064 85 R HA -0.024 4.316 4.340 -0.000 0.000 0.221 85 R C 1.597 177.906 176.300 0.016 0.000 1.136 85 R CA 1.301 57.386 56.100 -0.025 0.000 0.980 85 R CB -0.297 29.973 30.300 -0.049 0.000 0.876 85 R HN -0.020 nan 8.270 nan 0.000 0.437 86 T N 0.499 115.080 114.554 0.046 0.000 3.206 86 T HA 0.033 4.383 4.350 -0.000 0.000 0.253 86 T C 0.446 175.215 174.700 0.114 0.000 1.042 86 T CA 0.326 62.474 62.100 0.080 0.000 0.931 86 T CB 0.002 68.933 68.868 0.105 0.000 1.029 86 T HN 0.307 nan 8.240 nan 0.000 0.564 87 Q N 0.796 120.667 119.800 0.118 0.000 2.100 87 Q HA -0.228 4.112 4.340 -0.000 0.000 0.163 87 Q C 0.129 176.290 176.000 0.268 0.000 0.618 87 Q CA 2.059 57.946 55.803 0.141 0.000 1.485 87 Q CB -1.563 27.220 28.738 0.073 0.000 1.627 87 Q HN 0.804 nan 8.270 nan 0.000 0.824 88 E N 0.388 120.752 120.200 0.273 0.000 2.468 88 E HA 0.033 4.383 4.350 -0.000 0.000 0.263 88 E C -0.474 176.319 176.600 0.320 0.000 1.192 88 E CA 0.255 56.816 56.400 0.269 0.000 1.016 88 E CB 0.438 30.303 29.700 0.275 0.000 0.980 88 E HN 0.160 nan 8.360 nan 0.000 0.467 89 K N 1.117 121.504 120.400 -0.022 0.000 2.208 89 K HA 0.485 4.805 4.320 -0.000 0.000 0.247 89 K C -1.168 175.116 176.600 -0.527 0.000 0.953 89 K CA -0.505 55.671 56.287 -0.184 0.000 0.837 89 K CB 0.950 33.326 32.500 -0.208 0.000 1.131 89 K HN 0.309 nan 8.250 nan 0.000 0.431 90 F N -0.514 119.336 119.950 -0.167 0.000 2.713 90 F HA 0.405 4.932 4.527 -0.000 0.000 0.311 90 F C -0.745 174.949 175.800 -0.177 0.000 1.141 90 F CA -1.003 56.923 58.000 -0.123 0.000 0.939 90 F CB 1.564 40.511 39.000 -0.089 0.000 1.325 90 F HN 0.475 nan 8.300 nan 0.000 0.453 91 A N 1.605 124.476 122.820 0.086 0.000 2.330 91 A HA 0.838 5.158 4.320 -0.000 0.000 0.327 91 A C -1.831 175.734 177.584 -0.031 0.000 1.155 91 A CA -0.603 51.432 52.037 -0.003 0.000 0.803 91 A CB 1.407 20.415 19.000 0.013 0.000 1.208 91 A HN 0.773 nan 8.150 nan 0.000 0.477 92 L N 1.721 122.904 121.223 -0.066 0.000 2.362 92 L HA 0.657 4.997 4.340 -0.000 0.000 0.275 92 L C -0.337 176.499 176.870 -0.057 0.000 0.998 92 L CA -0.360 54.424 54.840 -0.092 0.000 0.820 92 L CB 1.556 43.529 42.059 -0.143 0.000 1.270 92 L HN 0.693 nan 8.230 nan 0.000 0.415 93 K N 5.868 126.243 120.400 -0.042 0.000 2.292 93 K HA 0.611 4.931 4.320 -0.000 0.000 0.257 93 K C -1.420 175.160 176.600 -0.034 0.000 0.940 93 K CA -0.611 55.664 56.287 -0.019 0.000 0.811 93 K CB 1.282 33.793 32.500 0.019 0.000 1.120 93 K HN 0.720 nan 8.250 nan 0.000 0.428 94 M N 5.653 125.228 119.600 -0.042 0.000 2.364 94 M HA 0.448 4.928 4.480 -0.000 0.000 0.334 94 M C -0.971 175.313 176.300 -0.027 0.000 1.107 94 M CA -0.849 54.417 55.300 -0.057 0.000 0.988 94 M CB 1.395 33.926 32.600 -0.113 0.000 1.673 94 M HN 0.348 nan 8.290 nan 0.000 0.441 95 L N 1.539 122.754 121.223 -0.013 0.000 2.388 95 L HA 0.515 4.855 4.340 -0.000 0.000 0.264 95 L C -0.508 176.369 176.870 0.012 0.000 0.998 95 L CA -0.834 54.008 54.840 0.004 0.000 0.817 95 L CB 2.143 44.209 42.059 0.011 0.000 1.338 95 L HN 0.656 nan 8.230 nan 0.000 0.414 96 Q N 2.269 122.081 119.800 0.019 0.000 2.295 96 Q HA 0.060 4.399 4.340 -0.000 0.000 0.259 96 Q C -0.492 175.519 176.000 0.018 0.000 0.976 96 Q CA -0.452 55.369 55.803 0.030 0.000 0.923 96 Q CB 1.026 29.785 28.738 0.034 0.000 1.185 96 Q HN 0.539 nan 8.270 nan 0.000 0.410 97 D N 3.470 123.881 120.400 0.019 0.000 2.531 97 D HA -0.006 4.634 4.640 -0.000 0.000 0.239 97 D C -0.338 175.965 176.300 0.005 0.000 1.144 97 D CA 0.497 54.503 54.000 0.010 0.000 0.869 97 D CB 0.255 41.061 40.800 0.010 0.000 1.160 97 D HN 0.728 nan 8.370 nan 0.000 0.484 98 C N 2.694 121.993 119.300 -0.000 0.000 3.175 98 C HA 0.516 4.976 4.460 -0.000 0.000 0.366 98 C C -2.255 172.730 174.990 -0.007 0.000 2.655 98 C CA -0.340 58.675 59.018 -0.004 0.000 1.149 98 C CB 0.828 28.564 27.740 -0.007 0.000 3.006 98 C HN 0.426 nan 8.230 nan 0.000 0.409 99 P HA 0.157 nan 4.420 nan 0.000 0.236 99 P C 1.142 178.435 177.300 -0.013 0.000 1.174 99 P CA 1.316 64.409 63.100 -0.011 0.000 0.840 99 P CB -0.009 31.684 31.700 -0.012 0.000 0.947 100 K N 0.205 120.592 120.400 -0.022 0.000 2.280 100 K HA 0.032 4.352 4.320 -0.000 0.000 0.202 100 K C 1.893 178.482 176.600 -0.019 0.000 1.047 100 K CA 1.314 57.581 56.287 -0.034 0.000 0.942 100 K CB -0.286 32.178 32.500 -0.059 0.000 0.739 100 K HN 0.086 nan 8.250 nan 0.000 0.457 101 A N 0.756 123.571 122.820 -0.009 0.000 1.956 101 A HA -0.002 4.318 4.320 -0.000 0.000 0.212 101 A C 1.960 179.552 177.584 0.012 0.000 1.188 101 A CA 0.202 52.242 52.037 0.006 0.000 0.675 101 A CB -0.041 18.962 19.000 0.005 0.000 0.845 101 A HN 0.052 nan 8.150 nan 0.000 0.455 102 R N 0.218 120.720 120.500 0.004 0.000 2.117 102 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 102 R C 2.260 178.570 176.300 0.017 0.000 1.143 102 R CA 1.746 57.848 56.100 0.002 0.000 0.968 102 R CB -0.674 29.624 30.300 -0.004 0.000 0.863 102 R HN 0.702 nan 8.270 nan 0.000 0.444 103 R N 1.007 121.521 120.500 0.023 0.000 2.062 103 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 103 R C 2.114 178.461 176.300 0.078 0.000 1.136 103 R CA 1.823 57.949 56.100 0.043 0.000 0.948 103 R CB -0.249 30.069 30.300 0.029 0.000 0.845 103 R HN 0.280 nan 8.270 nan 0.000 0.430 104 E N -0.026 120.223 120.200 0.082 0.000 2.049 104 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 104 E C 1.925 178.609 176.600 0.139 0.000 1.007 104 E CA 2.110 58.597 56.400 0.145 0.000 0.809 104 E CB -0.049 29.731 29.700 0.134 0.000 0.749 104 E HN 0.248 nan 8.360 nan 0.000 0.450 105 V N 1.522 121.485 119.914 0.082 0.000 2.252 105 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 105 V C 2.535 178.687 176.094 0.096 0.000 1.056 105 V CA 2.119 64.451 62.300 0.053 0.000 1.022 105 V CB -0.625 31.198 31.823 0.001 0.000 0.641 105 V HN 0.346 nan 8.190 nan 0.000 0.445 106 E N 0.086 120.336 120.200 0.083 0.000 2.021 106 E HA -0.223 4.127 4.350 -0.000 0.000 0.200 106 E C 2.218 178.911 176.600 0.156 0.000 1.015 106 E CA 1.828 58.293 56.400 0.108 0.000 0.824 106 E CB -0.473 29.269 29.700 0.071 0.000 0.762 106 E HN 0.534 nan 8.360 nan 0.000 0.454 107 L N -0.428 120.873 121.223 0.130 0.000 2.012 107 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 107 L C 2.734 179.618 176.870 0.024 0.000 1.073 107 L CA 1.748 56.666 54.840 0.130 0.000 0.748 107 L CB -0.614 41.572 42.059 0.212 0.000 0.891 107 L HN 0.340 nan 8.230 nan 0.000 0.431 108 H N -0.996 117.916 119.070 -0.263 0.000 2.353 108 H HA -0.278 4.278 4.556 -0.000 0.000 0.300 108 H C 2.220 177.344 175.328 -0.340 0.000 1.090 108 H CA 1.660 57.254 56.048 -0.756 0.000 1.327 108 H CB -0.098 29.278 29.762 -0.643 0.000 1.383 108 H HN 0.454 nan 8.280 nan 0.000 0.508 109 W N 2.043 123.289 121.300 -0.091 0.000 2.321 109 W HA -0.266 4.394 4.660 -0.000 0.000 0.306 109 W C 2.230 178.737 176.519 -0.021 0.000 1.217 109 W CA 1.602 58.899 57.345 -0.081 0.000 1.257 109 W CB -0.286 29.127 29.460 -0.078 0.000 1.145 109 W HN 0.212 nan 8.180 nan 0.000 0.509 110 R N 0.600 121.068 120.500 -0.054 0.000 2.148 110 R HA -0.075 4.265 4.340 -0.000 0.000 0.227 110 R C 2.145 178.390 176.300 -0.091 0.000 1.103 110 R CA 1.718 57.767 56.100 -0.085 0.000 0.983 110 R CB -0.486 29.850 30.300 0.060 0.000 0.874 110 R HN 0.096 nan 8.270 nan 0.000 0.451 111 A N -1.249 121.528 122.820 -0.071 0.000 2.348 111 A HA 0.102 4.422 4.320 -0.000 0.000 0.224 111 A C 1.617 179.219 177.584 0.030 0.000 1.227 111 A CA 0.351 52.452 52.037 0.108 0.000 0.885 111 A CB 0.041 19.103 19.000 0.103 0.000 0.933 111 A HN 0.293 nan 8.150 nan 0.000 0.506 112 S N -0.314 115.278 115.700 -0.179 0.000 2.461 112 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 112 S C 1.852 176.309 174.600 -0.238 0.000 1.005 112 S CA 1.213 59.297 58.200 -0.193 0.000 0.942 112 S CB -0.358 62.618 63.200 -0.374 0.000 0.776 112 S HN 0.671 nan 8.310 nan 0.000 0.514 113 Q N 0.229 119.859 119.800 -0.284 0.000 2.077 113 Q HA -0.118 4.222 4.340 -0.000 0.000 0.206 113 Q C 1.396 177.173 176.000 -0.372 0.000 0.989 113 Q CA 1.039 56.654 55.803 -0.312 0.000 0.853 113 Q CB -0.653 27.922 28.738 -0.273 0.000 0.907 113 Q HN 0.648 nan 8.270 nan 0.000 0.418 114 C N 1.942 120.945 119.300 -0.495 0.000 2.611 114 C HA 0.007 4.467 4.460 -0.000 0.000 0.416 114 C C -1.142 173.707 174.990 -0.235 0.000 1.366 114 C CA -1.371 57.339 59.018 -0.514 0.000 1.761 114 C CB 0.388 27.884 27.740 -0.406 0.000 2.619 114 C HN 0.320 nan 8.230 nan 0.000 0.606 115 P HA -0.060 nan 4.420 nan 0.000 0.222 115 P C 0.725 177.859 177.300 -0.278 0.000 1.147 115 P CA 1.533 64.492 63.100 -0.236 0.000 0.790 115 P CB -0.114 31.424 31.700 -0.270 0.000 0.780 116 H N -1.688 117.345 119.070 -0.062 0.000 2.542 116 H HA 0.328 4.884 4.556 -0.000 0.000 0.283 116 H C 0.448 175.770 175.328 -0.010 0.000 1.059 116 H CA -0.139 55.889 56.048 -0.032 0.000 1.162 116 H CB 0.556 30.302 29.762 -0.028 0.000 1.539 116 H HN 0.190 nan 8.280 nan 0.000 0.543 117 I N 1.255 121.873 120.570 0.080 0.000 2.433 117 I HA 0.065 4.235 4.170 -0.000 0.000 0.292 117 I C 0.190 176.361 176.117 0.091 0.000 1.001 117 I CA -0.873 60.492 61.300 0.109 0.000 1.119 117 I CB 3.174 41.263 38.000 0.149 0.000 1.289 117 I HN -0.189 nan 8.210 nan 0.000 0.438 118 V N 7.649 127.647 119.914 0.141 0.000 2.557 118 V HA 0.022 4.142 4.120 -0.000 0.000 0.301 118 V C 0.615 176.827 176.094 0.196 0.000 1.026 118 V CA 0.243 62.635 62.300 0.154 0.000 1.137 118 V CB 0.492 32.431 31.823 0.192 0.000 0.917 118 V HN 0.752 nan 8.190 nan 0.000 0.484 119 R N 5.620 126.175 120.500 0.092 0.000 2.389 119 R HA 0.371 4.711 4.340 -0.000 0.000 0.295 119 R C -0.330 175.994 176.300 0.040 0.000 1.075 119 R CA -0.430 55.695 56.100 0.042 0.000 1.005 119 R CB 0.527 30.835 30.300 0.014 0.000 0.987 119 R HN 0.807 nan 8.270 nan 0.000 0.452 120 I N 5.159 125.718 120.570 -0.019 0.000 2.325 120 I HA 0.009 4.179 4.170 -0.000 0.000 0.291 120 I C 0.994 177.172 176.117 0.103 0.000 1.019 120 I CA -0.298 60.993 61.300 -0.016 0.000 1.302 120 I CB 1.791 39.767 38.000 -0.040 0.000 1.401 120 I HN 0.581 nan 8.210 nan 0.000 0.485 121 V N 4.999 124.955 119.914 0.070 0.000 2.426 121 V HA 0.076 4.196 4.120 -0.000 0.000 0.242 121 V C 0.286 176.390 176.094 0.017 0.000 1.036 121 V CA 1.288 63.630 62.300 0.071 0.000 1.044 121 V CB -0.288 31.550 31.823 0.024 0.000 0.688 121 V HN 0.710 nan 8.190 nan 0.000 0.462 122 D N -1.925 118.437 120.400 -0.064 0.000 2.623 122 D HA 0.486 5.126 4.640 -0.000 0.000 0.241 122 D C -1.512 174.648 176.300 -0.233 0.000 1.241 122 D CA -0.114 53.770 54.000 -0.193 0.000 0.788 122 D CB 3.182 43.823 40.800 -0.264 0.000 1.413 122 D HN -0.113 nan 8.370 nan 0.000 0.429 123 V N 2.113 121.815 119.914 -0.354 0.000 2.483 123 V HA 0.394 4.514 4.120 -0.000 0.000 0.297 123 V C -1.056 174.844 176.094 -0.323 0.000 1.027 123 V CA -0.668 61.480 62.300 -0.255 0.000 0.855 123 V CB 1.067 32.755 31.823 -0.224 0.000 0.995 123 V HN 0.404 nan 8.190 nan 0.000 0.424 124 Y N 2.019 122.266 120.300 -0.088 0.000 2.361 124 Y HA 0.531 5.081 4.550 -0.000 0.000 0.332 124 Y C 0.457 176.324 175.900 -0.054 0.000 1.101 124 Y CA -0.601 57.462 58.100 -0.062 0.000 1.137 124 Y CB 1.601 40.036 38.460 -0.042 0.000 1.207 124 Y HN 0.622 nan 8.280 nan 0.000 0.463 125 E N 3.388 123.658 120.200 0.116 0.000 2.129 125 E HA 0.367 4.717 4.350 -0.000 0.000 0.268 125 E C -1.358 175.290 176.600 0.080 0.000 0.900 125 E CA -0.277 56.162 56.400 0.065 0.000 0.755 125 E CB 0.545 30.256 29.700 0.019 0.000 1.117 125 E HN 0.853 nan 8.360 nan 0.000 0.410 126 N N 3.246 121.988 118.700 0.069 0.000 2.761 126 N HA 0.463 5.203 4.740 -0.000 0.000 0.283 126 N C -1.195 174.354 175.510 0.066 0.000 1.377 126 N CA -0.831 52.256 53.050 0.062 0.000 0.791 126 N CB 1.487 40.001 38.487 0.045 0.000 1.540 126 N HN 0.284 nan 8.380 nan 0.000 0.539 127 L N 1.783 123.047 121.223 0.069 0.000 2.296 127 L HA 0.393 4.733 4.340 -0.000 0.000 0.286 127 L C -1.422 175.530 176.870 0.136 0.000 1.023 127 L CA -0.566 54.319 54.840 0.075 0.000 0.812 127 L CB 0.732 42.814 42.059 0.038 0.000 1.223 127 L HN 0.572 nan 8.230 nan 0.000 0.421 128 Y N 3.915 124.212 120.300 -0.005 0.000 2.373 128 Y HA 0.530 5.080 4.550 -0.000 0.000 0.327 128 Y C 0.246 176.144 175.900 -0.004 0.000 1.036 128 Y CA -0.761 57.336 58.100 -0.006 0.000 1.265 128 Y CB 1.330 39.786 38.460 -0.007 0.000 1.108 128 Y HN 0.698 nan 8.280 nan 0.000 0.471 129 A N 3.880 126.449 122.820 -0.418 0.000 2.734 129 A HA 0.051 4.371 4.320 -0.000 0.000 0.296 129 A C 1.699 179.189 177.584 -0.157 0.000 1.474 129 A CA 1.260 53.083 52.037 -0.356 0.000 0.735 129 A CB -2.078 16.608 19.000 -0.522 0.000 1.062 129 A HN 2.499 nan 8.150 nan 0.000 0.463 130 G N -1.426 107.322 108.800 -0.088 0.000 2.216 130 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.269 130 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.269 130 G C 0.369 175.254 174.900 -0.024 0.000 0.981 130 G CA 1.332 46.406 45.100 -0.044 0.000 0.658 130 G HN 1.316 nan 8.290 nan 0.000 0.539 131 R N -0.119 120.370 120.500 -0.018 0.000 2.536 131 R HA 0.529 4.869 4.340 -0.000 0.000 0.279 131 R C 0.075 176.400 176.300 0.042 0.000 1.001 131 R CA -0.773 55.335 56.100 0.013 0.000 1.027 131 R CB 1.152 31.466 30.300 0.023 0.000 1.096 131 R HN 0.207 nan 8.270 nan 0.000 0.502 132 K N 1.316 121.738 120.400 0.037 0.000 2.227 132 K HA 0.230 4.550 4.320 -0.000 0.000 0.280 132 K C -1.138 175.492 176.600 0.051 0.000 1.041 132 K CA -0.295 56.016 56.287 0.040 0.000 0.905 132 K CB 0.782 33.295 32.500 0.023 0.000 1.068 132 K HN 0.497 nan 8.250 nan 0.000 0.470 133 C N 4.685 124.021 119.300 0.061 0.000 2.456 133 C HA 0.471 4.931 4.460 -0.000 0.000 0.325 133 C C -1.086 173.924 174.990 0.033 0.000 1.217 133 C CA -1.023 58.026 59.018 0.052 0.000 1.687 133 C CB 0.706 28.486 27.740 0.066 0.000 2.270 133 C HN 0.650 nan 8.230 nan 0.000 0.499 134 L N 4.239 125.473 121.223 0.018 0.000 2.264 134 L HA 0.567 4.907 4.340 -0.000 0.000 0.289 134 L C -0.278 176.597 176.870 0.007 0.000 1.044 134 L CA 0.079 54.926 54.840 0.012 0.000 0.807 134 L CB 0.836 42.894 42.059 -0.001 0.000 1.192 134 L HN 0.510 nan 8.230 nan 0.000 0.425 135 L N 5.773 127.014 121.223 0.029 0.000 2.298 135 L HA 0.550 4.890 4.340 -0.000 0.000 0.284 135 L C -0.309 176.575 176.870 0.024 0.000 1.013 135 L CA -0.441 54.407 54.840 0.014 0.000 0.824 135 L CB 1.526 43.590 42.059 0.009 0.000 1.221 135 L HN 0.418 nan 8.230 nan 0.000 0.418 136 I N 3.734 124.291 120.570 -0.022 0.000 2.336 136 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 136 I C -0.250 175.825 176.117 -0.069 0.000 0.991 136 I CA -0.738 60.532 61.300 -0.049 0.000 1.227 136 I CB 2.105 40.067 38.000 -0.063 0.000 1.366 136 I HN 0.231 nan 8.210 nan 0.000 0.466 137 V N 7.618 127.477 119.914 -0.090 0.000 2.347 137 V HA 0.463 4.583 4.120 -0.000 0.000 0.280 137 V C 0.199 176.252 176.094 -0.069 0.000 1.021 137 V CA -0.435 61.772 62.300 -0.155 0.000 0.847 137 V CB 1.336 32.968 31.823 -0.318 0.000 0.990 137 V HN 0.692 nan 8.190 nan 0.000 0.444 138 M N 3.106 122.716 119.600 0.016 0.000 2.644 138 M HA 0.700 5.180 4.480 -0.000 0.000 0.304 138 M C -0.004 176.432 176.300 0.227 0.000 1.215 138 M CA -0.814 54.540 55.300 0.091 0.000 0.871 138 M CB 1.960 34.591 32.600 0.051 0.000 1.740 138 M HN 0.705 nan 8.290 nan 0.000 0.464 139 E N 0.648 120.976 120.200 0.212 0.000 2.468 139 E HA 0.088 4.438 4.350 -0.000 0.000 0.263 139 E C -1.154 175.467 176.600 0.035 0.000 1.192 139 E CA -0.513 55.971 56.400 0.140 0.000 1.016 139 E CB 0.833 30.571 29.700 0.063 0.000 0.980 139 E HN 0.715 nan 8.360 nan 0.000 0.467 140 C N 2.794 122.036 119.300 -0.098 0.000 2.281 140 C HA 0.413 4.873 4.460 -0.000 0.000 0.325 140 C C -0.120 174.842 174.990 -0.048 0.000 1.282 140 C CA -0.669 58.296 59.018 -0.088 0.000 1.640 140 C CB -1.036 26.592 27.740 -0.187 0.000 2.288 140 C HN 0.645 nan 8.230 nan 0.000 0.507 141 L N 6.570 127.790 121.223 -0.005 0.000 2.407 141 L HA 0.302 4.642 4.340 -0.000 0.000 0.261 141 L C 0.758 177.646 176.870 0.028 0.000 1.108 141 L CA -0.065 54.788 54.840 0.022 0.000 0.995 141 L CB 0.407 42.491 42.059 0.042 0.000 1.349 141 L HN 0.797 nan 8.230 nan 0.000 0.423 142 D N 0.003 120.413 120.400 0.016 0.000 2.289 142 D HA -0.093 4.547 4.640 -0.000 0.000 0.207 142 D C 1.924 178.251 176.300 0.046 0.000 0.966 142 D CA 0.471 54.483 54.000 0.020 0.000 0.868 142 D CB 0.191 40.992 40.800 0.002 0.000 0.943 142 D HN 0.438 nan 8.370 nan 0.000 0.514 143 G N -0.201 108.641 108.800 0.070 0.000 2.740 143 G HA2 0.313 4.273 3.960 -0.000 0.000 0.208 143 G HA3 0.313 4.273 3.960 -0.000 0.000 0.208 143 G C 0.876 175.858 174.900 0.138 0.000 1.148 143 G CA 0.022 45.177 45.100 0.092 0.000 0.795 143 G HN 0.695 nan 8.290 nan 0.000 0.526 144 G N -0.605 108.274 108.800 0.131 0.000 2.705 144 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 144 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 144 G C -0.343 174.670 174.900 0.189 0.000 1.285 144 G CA -0.607 44.580 45.100 0.144 0.000 0.800 144 G HN 0.417 nan 8.290 nan 0.000 0.611 145 E N 0.106 120.395 120.200 0.149 0.000 2.415 145 E HA 0.194 4.544 4.350 -0.000 0.000 0.262 145 E C 1.816 178.541 176.600 0.208 0.000 1.038 145 E CA 0.176 56.655 56.400 0.132 0.000 0.921 145 E CB 0.980 30.763 29.700 0.139 0.000 0.950 145 E HN 0.829 nan 8.360 nan 0.000 0.438 146 L N 2.754 124.054 121.223 0.128 0.000 2.046 146 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 146 L C 1.809 178.915 176.870 0.393 0.000 1.077 146 L CA 1.719 56.691 54.840 0.221 0.000 0.747 146 L CB -0.299 41.752 42.059 -0.015 0.000 0.896 146 L HN 0.613 nan 8.230 nan 0.000 0.432 147 F N -0.925 119.081 119.950 0.094 0.000 2.293 147 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 147 F C 2.509 178.286 175.800 -0.039 0.000 1.086 147 F CA 0.614 58.631 58.000 0.028 0.000 1.375 147 F CB 0.015 39.115 39.000 0.167 0.000 1.045 147 F HN 0.203 nan 8.300 nan 0.000 0.516 148 S N -0.356 115.481 115.700 0.228 0.000 2.356 148 S HA -0.082 4.388 4.470 -0.000 0.000 0.219 148 S C 2.106 176.730 174.600 0.040 0.000 1.036 148 S CA 0.287 58.546 58.200 0.099 0.000 0.965 148 S CB -0.145 63.135 63.200 0.134 0.000 0.864 148 S HN 0.130 nan 8.310 nan 0.000 0.471 149 R N 1.303 121.855 120.500 0.086 0.000 2.226 149 R HA -0.073 4.267 4.340 -0.000 0.000 0.246 149 R C 1.892 178.158 176.300 -0.058 0.000 1.161 149 R CA 0.910 57.018 56.100 0.014 0.000 0.997 149 R CB -0.781 29.528 30.300 0.016 0.000 0.870 149 R HN 0.461 nan 8.270 nan 0.000 0.465 150 I N 0.711 121.234 120.570 -0.078 0.000 2.141 150 I HA -0.264 3.906 4.170 -0.000 0.000 0.236 150 I C 1.917 177.884 176.117 -0.250 0.000 1.071 150 I CA 0.999 62.141 61.300 -0.263 0.000 1.345 150 I CB -0.837 36.872 38.000 -0.485 0.000 1.066 150 I HN 0.222 nan 8.210 nan 0.000 0.406 151 Q N 1.361 121.019 119.800 -0.237 0.000 2.362 151 Q HA -0.114 4.226 4.340 -0.000 0.000 0.210 151 Q C -0.878 175.040 176.000 -0.137 0.000 0.924 151 Q CA 0.729 56.400 55.803 -0.219 0.000 0.982 151 Q CB -0.448 28.137 28.738 -0.255 0.000 1.028 151 Q HN 0.397 nan 8.270 nan 0.000 0.482 152 D N -0.185 120.146 120.400 -0.115 0.000 3.100 152 D HA 0.235 4.875 4.640 -0.000 0.000 0.350 152 D C -0.375 175.882 176.300 -0.071 0.000 1.310 152 D CA -0.293 53.661 54.000 -0.076 0.000 0.741 152 D CB 0.682 41.449 40.800 -0.054 0.000 1.248 152 D HN 0.214 nan 8.370 nan 0.000 0.527 153 R N -0.705 119.751 120.500 -0.074 0.000 2.151 153 R HA 0.637 4.977 4.340 -0.000 0.000 0.121 153 R C 1.094 177.367 176.300 -0.045 0.000 1.786 153 R CA -0.131 55.935 56.100 -0.055 0.000 1.534 153 R CB 0.006 30.277 30.300 -0.049 0.000 1.290 153 R HN 0.040 nan 8.270 nan 0.000 0.464 154 G N 0.827 109.602 108.800 -0.041 0.000 2.175 154 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 154 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 154 G C -0.492 174.390 174.900 -0.029 0.000 0.982 154 G CA 0.275 45.352 45.100 -0.037 0.000 0.641 154 G HN 0.401 nan 8.290 nan 0.000 0.527 155 D N 0.929 121.315 120.400 -0.025 0.000 2.549 155 D HA 0.527 5.167 4.640 -0.000 0.000 0.251 155 D C 0.309 176.602 176.300 -0.012 0.000 1.153 155 D CA -0.153 53.836 54.000 -0.020 0.000 0.861 155 D CB 1.072 41.860 40.800 -0.021 0.000 1.207 155 D HN 0.325 nan 8.370 nan 0.000 0.543 156 Q N -0.295 119.498 119.800 -0.011 0.000 3.245 156 Q HA -0.141 4.199 4.340 -0.000 0.000 0.028 156 Q C -0.816 175.189 176.000 0.009 0.000 1.716 156 Q CA 1.086 56.886 55.803 -0.004 0.000 0.237 156 Q CB -0.414 28.325 28.738 0.001 0.000 0.589 156 Q HN 0.561 nan 8.270 nan 0.000 0.323 157 A N 1.394 124.221 122.820 0.012 0.000 2.239 157 A HA 0.721 5.040 4.320 -0.000 0.000 0.303 157 A C -0.726 176.925 177.584 0.111 0.000 1.114 157 A CA -0.461 51.597 52.037 0.036 0.000 0.871 157 A CB 0.578 19.581 19.000 0.006 0.000 1.201 157 A HN 0.610 nan 8.150 nan 0.000 0.506 158 F N 1.208 121.118 119.950 -0.065 0.000 2.504 158 F HA 0.347 4.874 4.527 -0.000 0.000 0.369 158 F C 1.142 176.912 175.800 -0.050 0.000 1.082 158 F CA 0.414 58.378 58.000 -0.059 0.000 1.216 158 F CB 0.724 39.676 39.000 -0.080 0.000 1.108 158 F HN 0.660 nan 8.300 nan 0.000 0.554 159 T N 1.309 115.650 114.554 -0.354 0.000 2.925 159 T HA 0.200 4.550 4.350 -0.000 0.000 0.285 159 T C 0.883 175.325 174.700 -0.429 0.000 1.021 159 T CA -0.716 61.201 62.100 -0.304 0.000 1.042 159 T CB 1.748 70.511 68.868 -0.174 0.000 1.037 159 T HN 0.828 nan 8.240 nan 0.000 0.481 160 E N 1.150 121.215 120.200 -0.224 0.000 2.086 160 E HA -0.309 4.041 4.350 -0.000 0.000 0.200 160 E C 2.172 178.696 176.600 -0.127 0.000 1.012 160 E CA 1.640 57.982 56.400 -0.096 0.000 0.812 160 E CB -0.063 29.661 29.700 0.039 0.000 0.743 160 E HN 0.737 nan 8.360 nan 0.000 0.453 161 R N 0.530 120.922 120.500 -0.180 0.000 2.080 161 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 161 R C 2.143 178.270 176.300 -0.288 0.000 1.137 161 R CA 2.057 58.013 56.100 -0.239 0.000 0.943 161 R CB -0.225 29.968 30.300 -0.179 0.000 0.846 161 R HN 0.242 nan 8.270 nan 0.000 0.431 162 E N 0.160 120.182 120.200 -0.297 0.000 2.114 162 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 162 E C 1.999 178.450 176.600 -0.249 0.000 1.008 162 E CA 1.436 57.686 56.400 -0.250 0.000 0.810 162 E CB -0.221 29.331 29.700 -0.247 0.000 0.739 162 E HN 0.551 nan 8.360 nan 0.000 0.456 163 A N 1.124 123.677 122.820 -0.444 0.000 1.877 163 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 163 A C 2.292 179.863 177.584 -0.023 0.000 1.186 163 A CA 1.837 53.818 52.037 -0.093 0.000 0.620 163 A CB -0.787 18.201 19.000 -0.020 0.000 0.822 163 A HN 0.257 nan 8.150 nan 0.000 0.443 164 S N -0.103 115.376 115.700 -0.369 0.000 2.359 164 S HA -0.270 4.200 4.470 -0.000 0.000 0.223 164 S C 1.890 176.207 174.600 -0.472 0.000 1.039 164 S CA 1.955 59.529 58.200 -1.043 0.000 1.042 164 S CB -0.543 61.746 63.200 -1.519 0.000 0.915 164 S HN 0.659 nan 8.310 nan 0.000 0.439 165 E N 0.489 120.510 120.200 -0.299 0.000 2.058 165 E HA -0.158 4.191 4.350 -0.000 0.000 0.194 165 E C 2.173 178.747 176.600 -0.045 0.000 0.997 165 E CA 1.672 57.982 56.400 -0.149 0.000 0.801 165 E CB -0.409 29.240 29.700 -0.085 0.000 0.746 165 E HN 0.618 nan 8.360 nan 0.000 0.450 166 I N 0.727 121.320 120.570 0.039 0.000 2.179 166 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 166 I C 2.512 178.683 176.117 0.089 0.000 1.088 166 I CA 0.774 62.142 61.300 0.112 0.000 1.357 166 I CB -0.238 37.901 38.000 0.232 0.000 1.051 166 I HN 0.128 nan 8.210 nan 0.000 0.409 167 M N 0.578 120.261 119.600 0.139 0.000 2.108 167 M HA -0.247 4.233 4.480 -0.000 0.000 0.261 167 M C 2.291 178.701 176.300 0.184 0.000 1.066 167 M CA 1.715 57.154 55.300 0.231 0.000 1.107 167 M CB -1.188 31.681 32.600 0.448 0.000 1.356 167 M HN 0.185 nan 8.290 nan 0.000 0.406 168 K N 0.233 120.662 120.400 0.049 0.000 2.097 168 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 168 K C 1.957 178.519 176.600 -0.064 0.000 1.049 168 K CA 1.864 58.153 56.287 0.004 0.000 0.933 168 K CB 0.130 32.577 32.500 -0.089 0.000 0.717 168 K HN 0.391 nan 8.250 nan 0.000 0.442 169 S N 1.005 116.614 115.700 -0.153 0.000 2.357 169 S HA -0.075 4.395 4.470 -0.000 0.000 0.221 169 S C 2.008 176.370 174.600 -0.396 0.000 1.031 169 S CA 1.019 58.935 58.200 -0.473 0.000 0.982 169 S CB -0.546 62.413 63.200 -0.402 0.000 0.853 169 S HN 0.270 nan 8.310 nan 0.000 0.458 170 I N 2.612 123.078 120.570 -0.173 0.000 2.248 170 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 170 I C 2.812 178.867 176.117 -0.103 0.000 1.107 170 I CA 1.447 62.669 61.300 -0.131 0.000 1.373 170 I CB -1.312 36.635 38.000 -0.089 0.000 1.055 170 I HN 0.467 nan 8.210 nan 0.000 0.418 171 G N 0.520 109.320 108.800 0.000 0.000 2.422 171 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 171 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 171 G C 1.519 176.440 174.900 0.035 0.000 1.146 171 G CA 0.430 45.589 45.100 0.099 0.000 0.769 171 G HN 0.451 nan 8.290 nan 0.000 0.547 172 E N 0.659 120.836 120.200 -0.038 0.000 2.106 172 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 172 E C 2.927 179.545 176.600 0.030 0.000 0.984 172 E CA 0.673 57.065 56.400 -0.013 0.000 0.806 172 E CB -0.159 29.487 29.700 -0.090 0.000 0.750 172 E HN 0.421 nan 8.360 nan 0.000 0.458 173 A N 1.842 124.648 122.820 -0.024 0.000 1.877 173 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 173 A C 2.185 179.776 177.584 0.011 0.000 1.186 173 A CA 1.063 53.127 52.037 0.044 0.000 0.620 173 A CB -0.418 18.579 19.000 -0.004 0.000 0.822 173 A HN 0.101 nan 8.150 nan 0.000 0.443 174 I N 0.123 120.632 120.570 -0.101 0.000 2.315 174 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 174 I C 2.681 178.649 176.117 -0.248 0.000 1.117 174 I CA 1.959 63.105 61.300 -0.256 0.000 1.404 174 I CB -1.396 36.423 38.000 -0.301 0.000 1.071 174 I HN 0.663 nan 8.210 nan 0.000 0.419 175 Q N 0.694 120.467 119.800 -0.045 0.000 2.084 175 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 175 Q C 2.471 178.515 176.000 0.073 0.000 0.978 175 Q CA 1.800 57.632 55.803 0.048 0.000 0.844 175 Q CB -0.487 28.317 28.738 0.110 0.000 0.898 175 Q HN 0.462 nan 8.270 nan 0.000 0.426 176 Y N 0.744 121.048 120.300 0.006 0.000 2.145 176 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 176 Y C 1.746 177.667 175.900 0.036 0.000 1.145 176 Y CA 1.678 59.795 58.100 0.028 0.000 1.148 176 Y CB -0.227 38.251 38.460 0.030 0.000 0.981 176 Y HN 0.147 nan 8.280 nan 0.000 0.507 177 L N -1.041 120.141 121.223 -0.069 0.000 2.046 177 L HA -0.277 4.063 4.340 -0.000 0.000 0.208 177 L C 2.312 179.166 176.870 -0.026 0.000 1.077 177 L CA 1.853 56.645 54.840 -0.080 0.000 0.747 177 L CB -0.668 41.386 42.059 -0.007 0.000 0.896 177 L HN 0.346 nan 8.230 nan 0.000 0.432 178 H N -1.343 117.711 119.070 -0.027 0.000 2.462 178 H HA -0.089 4.467 4.556 -0.000 0.000 0.292 178 H C 2.466 177.767 175.328 -0.045 0.000 1.049 178 H CA 0.887 56.923 56.048 -0.019 0.000 1.334 178 H CB 0.253 30.021 29.762 0.010 0.000 1.404 178 H HN 0.387 nan 8.280 nan 0.000 0.544 179 S N 1.180 116.905 115.700 0.041 0.000 2.474 179 S HA -0.090 4.380 4.470 -0.000 0.000 0.235 179 S C 1.592 176.147 174.600 -0.075 0.000 0.997 179 S CA 0.900 59.092 58.200 -0.014 0.000 0.949 179 S CB -0.471 62.713 63.200 -0.026 0.000 0.766 179 S HN 0.595 nan 8.310 nan 0.000 0.517 180 I N -2.485 118.001 120.570 -0.139 0.000 3.856 180 I HA 0.499 4.669 4.170 -0.000 0.000 0.330 180 I C -0.434 175.657 176.117 -0.043 0.000 1.546 180 I CA -0.749 60.477 61.300 -0.122 0.000 1.132 180 I CB -0.936 36.928 38.000 -0.227 0.000 1.157 180 I HN 0.014 nan 8.210 nan 0.000 0.440 181 N N 1.773 120.474 118.700 0.002 0.000 2.783 181 N HA -0.116 4.624 4.740 -0.000 0.000 0.247 181 N C -0.825 174.717 175.510 0.054 0.000 1.089 181 N CA 0.646 53.712 53.050 0.026 0.000 0.690 181 N CB -1.075 37.414 38.487 0.004 0.000 0.991 181 N HN 0.548 nan 8.380 nan 0.000 0.552 182 I N 0.093 120.722 120.570 0.098 0.000 2.418 182 I HA 0.576 4.746 4.170 -0.000 0.000 0.287 182 I C 0.360 176.602 176.117 0.208 0.000 1.008 182 I CA -0.902 60.475 61.300 0.128 0.000 1.104 182 I CB 1.642 39.726 38.000 0.139 0.000 1.264 182 I HN 0.138 nan 8.210 nan 0.000 0.438 183 A N 4.050 126.974 122.820 0.173 0.000 2.310 183 A HA 0.283 4.603 4.320 -0.000 0.000 0.299 183 A C 0.525 178.173 177.584 0.107 0.000 1.147 183 A CA -0.185 51.982 52.037 0.217 0.000 0.818 183 A CB 0.308 19.396 19.000 0.147 0.000 1.096 183 A HN 0.900 nan 8.150 nan 0.000 0.495 184 H N 1.170 120.229 119.070 -0.018 0.000 2.431 184 H HA 0.068 4.624 4.556 -0.000 0.000 0.295 184 H C 0.904 176.159 175.328 -0.121 0.000 1.038 184 H CA 1.316 57.254 56.048 -0.184 0.000 1.360 184 H CB 0.097 29.693 29.762 -0.277 0.000 1.433 184 H HN 0.745 nan 8.280 nan 0.000 0.536 185 R N -0.447 120.112 120.500 0.099 0.000 3.994 185 R HA -0.203 4.137 4.340 -0.000 0.000 0.403 185 R C -0.615 175.665 176.300 -0.034 0.000 1.126 185 R CA 1.293 57.419 56.100 0.043 0.000 1.143 185 R CB -2.196 28.143 30.300 0.065 0.000 1.695 185 R HN 0.588 nan 8.270 nan 0.000 0.555 186 D N -0.504 119.976 120.400 0.134 0.000 3.285 186 D HA 0.111 4.751 4.640 -0.000 0.000 0.314 186 D C -0.856 175.483 176.300 0.064 0.000 1.601 186 D CA -0.115 53.861 54.000 -0.041 0.000 0.772 186 D CB 0.657 41.252 40.800 -0.341 0.000 1.312 186 D HN -0.048 nan 8.370 nan 0.000 0.550 187 V N 2.881 122.775 119.914 -0.032 0.000 2.409 187 V HA 0.185 4.305 4.120 -0.000 0.000 0.270 187 V C 0.512 176.504 176.094 -0.171 0.000 1.019 187 V CA 0.688 62.823 62.300 -0.274 0.000 1.066 187 V CB 0.013 31.649 31.823 -0.311 0.000 1.021 187 V HN 0.181 nan 8.190 nan 0.000 0.476 188 K N 5.100 125.391 120.400 -0.181 0.000 2.372 188 K HA 0.649 4.969 4.320 -0.000 0.000 0.251 188 K C -2.556 173.909 176.600 -0.225 0.000 1.055 188 K CA -1.934 54.249 56.287 -0.173 0.000 0.879 188 K CB 1.101 33.513 32.500 -0.148 0.000 1.384 188 K HN 0.004 nan 8.250 nan 0.000 0.465 189 P HA -0.122 nan 4.420 nan 0.000 0.216 189 P C 0.201 177.366 177.300 -0.225 0.000 1.153 189 P CA 1.272 64.132 63.100 -0.399 0.000 0.848 189 P CB 0.096 31.460 31.700 -0.559 0.000 0.787 190 E N -0.842 119.267 120.200 -0.152 0.000 2.463 190 E HA -0.123 4.227 4.350 -0.000 0.000 0.201 190 E C 0.909 177.470 176.600 -0.065 0.000 1.045 190 E CA 0.835 57.188 56.400 -0.080 0.000 0.872 190 E CB -1.100 28.555 29.700 -0.076 0.000 0.797 190 E HN 0.437 nan 8.360 nan 0.000 0.538 191 N N -0.311 118.330 118.700 -0.099 0.000 2.214 191 N HA 0.180 4.920 4.740 -0.000 0.000 0.214 191 N C -0.753 174.698 175.510 -0.098 0.000 1.132 191 N CA -0.111 52.897 53.050 -0.071 0.000 0.856 191 N CB 0.509 38.955 38.487 -0.068 0.000 1.020 191 N HN 0.015 nan 8.380 nan 0.000 0.509 192 L N 2.159 123.305 121.223 -0.128 0.000 2.324 192 L HA 0.466 4.806 4.340 -0.000 0.000 0.274 192 L C -0.936 175.847 176.870 -0.146 0.000 1.012 192 L CA -0.335 54.409 54.840 -0.160 0.000 0.859 192 L CB 1.026 42.955 42.059 -0.217 0.000 1.224 192 L HN -0.075 nan 8.230 nan 0.000 0.429 193 L N 1.905 123.062 121.223 -0.109 0.000 2.330 193 L HA 0.532 4.872 4.340 -0.000 0.000 0.271 193 L C -0.866 175.949 176.870 -0.092 0.000 1.013 193 L CA -0.974 53.834 54.840 -0.052 0.000 0.816 193 L CB 1.771 43.843 42.059 0.022 0.000 1.287 193 L HN 0.262 nan 8.230 nan 0.000 0.435 194 Y N -0.116 120.204 120.300 0.034 0.000 2.310 194 Y HA 0.119 4.669 4.550 -0.000 0.000 0.326 194 Y C 1.592 177.501 175.900 0.015 0.000 1.151 194 Y CA -0.220 57.898 58.100 0.030 0.000 1.195 194 Y CB 1.787 40.265 38.460 0.031 0.000 1.210 194 Y HN 0.739 nan 8.280 nan 0.000 0.483 195 T N -1.571 113.108 114.554 0.208 0.000 2.639 195 T HA -0.047 4.303 4.350 -0.000 0.000 0.261 195 T C 0.845 175.586 174.700 0.069 0.000 1.053 195 T CA 1.324 63.480 62.100 0.092 0.000 1.158 195 T CB -0.494 68.404 68.868 0.051 0.000 0.863 195 T HN 0.556 nan 8.240 nan 0.000 0.413 196 S N 0.183 115.920 115.700 0.062 0.000 2.837 196 S HA 0.631 5.101 4.470 -0.000 0.000 0.314 196 S C 0.340 174.940 174.600 -0.001 0.000 1.098 196 S CA -1.042 57.170 58.200 0.021 0.000 0.903 196 S CB 1.832 65.032 63.200 -0.000 0.000 1.310 196 S HN 0.205 nan 8.310 nan 0.000 0.581 197 K N -0.072 120.316 120.400 -0.021 0.000 2.352 197 K HA 0.289 4.609 4.320 -0.000 0.000 0.194 197 K C 0.069 176.629 176.600 -0.065 0.000 1.038 197 K CA -0.061 56.197 56.287 -0.049 0.000 1.023 197 K CB 0.021 32.502 32.500 -0.031 0.000 0.840 197 K HN 0.394 nan 8.250 nan 0.000 0.519 198 R N 2.242 122.715 120.500 -0.045 0.000 2.523 198 R HA -0.046 4.294 4.340 -0.000 0.000 0.281 198 R C -1.794 174.464 176.300 -0.070 0.000 0.969 198 R CA -0.547 55.526 56.100 -0.044 0.000 1.093 198 R CB -0.134 30.150 30.300 -0.028 0.000 0.917 198 R HN 0.056 nan 8.270 nan 0.000 0.408 199 P HA -0.102 nan 4.420 nan 0.000 0.237 199 P C -0.406 176.853 177.300 -0.068 0.000 1.178 199 P CA 1.003 64.046 63.100 -0.095 0.000 0.766 199 P CB 0.074 31.733 31.700 -0.069 0.000 0.876 200 N N -0.438 118.239 118.700 -0.038 0.000 2.370 200 N HA 0.226 4.966 4.740 -0.000 0.000 0.198 200 N C 0.620 176.135 175.510 0.007 0.000 1.156 200 N CA -0.252 52.792 53.050 -0.011 0.000 0.839 200 N CB -0.548 37.934 38.487 -0.007 0.000 0.989 200 N HN 0.015 nan 8.380 nan 0.000 0.468 201 A N 0.590 123.404 122.820 -0.009 0.000 2.492 201 A HA 0.265 4.585 4.320 -0.000 0.000 0.236 201 A C 0.075 177.768 177.584 0.181 0.000 1.078 201 A CA 0.056 52.122 52.037 0.047 0.000 0.773 201 A CB 0.101 19.097 19.000 -0.007 0.000 1.023 201 A HN 0.212 nan 8.150 nan 0.000 0.504 202 I N 0.815 121.508 120.570 0.205 0.000 2.460 202 I HA 0.318 4.488 4.170 -0.000 0.000 0.298 202 I C -0.150 176.078 176.117 0.184 0.000 0.989 202 I CA -1.119 60.292 61.300 0.186 0.000 1.173 202 I CB 1.236 39.239 38.000 0.005 0.000 1.338 202 I HN 0.547 nan 8.210 nan 0.000 0.456 203 L N 6.947 128.235 121.223 0.108 0.000 2.265 203 L HA 0.367 4.707 4.340 -0.000 0.000 0.288 203 L C -0.146 176.729 176.870 0.008 0.000 1.058 203 L CA 0.223 54.974 54.840 -0.149 0.000 0.809 203 L CB -0.151 41.771 42.059 -0.228 0.000 1.179 203 L HN 0.495 nan 8.230 nan 0.000 0.429 204 K N 4.645 125.012 120.400 -0.055 0.000 2.267 204 K HA 0.527 4.847 4.320 -0.000 0.000 0.246 204 K C -1.372 175.218 176.600 -0.016 0.000 0.954 204 K CA -1.141 55.151 56.287 0.008 0.000 0.824 204 K CB 2.515 35.029 32.500 0.022 0.000 1.167 204 K HN 0.376 nan 8.250 nan 0.000 0.431 205 L N 1.282 122.513 121.223 0.014 0.000 2.343 205 L HA 0.460 4.800 4.340 -0.000 0.000 0.275 205 L C -0.334 176.584 176.870 0.080 0.000 1.056 205 L CA 0.490 55.313 54.840 -0.028 0.000 0.804 205 L CB 1.521 43.532 42.059 -0.081 0.000 1.203 205 L HN 0.889 nan 8.230 nan 0.000 0.440 206 T N -0.230 114.377 114.554 0.088 0.000 2.838 206 T HA 0.565 4.915 4.350 -0.000 0.000 0.292 206 T C -0.792 174.047 174.700 0.232 0.000 1.113 206 T CA -0.521 61.698 62.100 0.199 0.000 1.008 206 T CB 1.259 70.219 68.868 0.153 0.000 1.259 206 T HN 0.726 nan 8.240 nan 0.000 0.520 207 D N -0.288 120.289 120.400 0.295 0.000 3.916 207 D HA -0.140 4.500 4.640 -0.000 0.000 0.250 207 D C -0.858 175.474 176.300 0.054 0.000 1.058 207 D CA 0.077 54.211 54.000 0.223 0.000 1.130 207 D CB -1.344 39.538 40.800 0.137 0.000 0.913 207 D HN 0.531 nan 8.370 nan 0.000 0.418 208 F N 0.816 120.753 119.950 -0.022 0.000 2.757 208 F HA 0.357 4.884 4.527 -0.000 0.000 0.292 208 F C 2.206 178.002 175.800 -0.008 0.000 1.204 208 F CA 0.348 58.289 58.000 -0.099 0.000 1.417 208 F CB 0.218 39.189 39.000 -0.048 0.000 1.001 208 F HN 0.383 nan 8.300 nan 0.000 0.508 209 G N -0.706 108.192 108.800 0.163 0.000 2.448 209 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 209 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 209 G C 1.348 176.268 174.900 0.033 0.000 1.127 209 G CA 0.680 45.870 45.100 0.150 0.000 0.766 209 G HN 0.440 nan 8.290 nan 0.000 0.552 210 F N 0.648 120.514 119.950 -0.140 0.000 2.724 210 F HA 0.512 5.039 4.527 -0.000 0.000 0.306 210 F C 1.764 177.480 175.800 -0.140 0.000 1.100 210 F CA -0.516 57.411 58.000 -0.122 0.000 1.255 210 F CB 0.396 39.324 39.000 -0.121 0.000 1.072 210 F HN 0.115 nan 8.300 nan 0.000 0.589 211 A N 2.288 125.072 122.820 -0.060 0.000 2.622 211 A HA -0.021 4.299 4.320 -0.000 0.000 0.235 211 A C 0.258 177.869 177.584 0.045 0.000 1.013 211 A CA 0.771 52.775 52.037 -0.055 0.000 0.765 211 A CB -0.172 18.863 19.000 0.058 0.000 0.921 211 A HN 0.407 nan 8.150 nan 0.000 0.506 212 K N 2.132 122.564 120.400 0.054 0.000 2.535 212 K HA 0.315 4.635 4.320 -0.000 0.000 0.250 212 K C -0.251 176.383 176.600 0.057 0.000 0.948 212 K CA -0.459 55.858 56.287 0.049 0.000 0.796 212 K CB 1.369 33.893 32.500 0.039 0.000 1.216 212 K HN 0.888 nan 8.250 nan 0.000 0.432 213 E N 1.056 121.287 120.200 0.051 0.000 2.425 213 E HA -0.013 4.337 4.350 -0.000 0.000 0.258 213 E C -0.536 176.079 176.600 0.025 0.000 1.151 213 E CA 0.478 56.904 56.400 0.044 0.000 0.958 213 E CB 0.864 30.584 29.700 0.035 0.000 0.968 213 E HN 0.476 nan 8.360 nan 0.000 0.451 214 T N 1.992 116.555 114.554 0.014 0.000 3.487 214 T HA 0.211 4.561 4.350 -0.000 0.000 0.287 214 T C -1.118 173.568 174.700 -0.023 0.000 1.004 214 T CA 0.072 62.169 62.100 -0.006 0.000 0.977 214 T CB -0.253 68.611 68.868 -0.006 0.000 1.180 214 T HN 0.582 nan 8.240 nan 0.000 0.490 228 Y N 0.984 121.246 120.300 -0.064 0.000 2.271 228 Y HA -0.314 4.236 4.550 -0.000 0.000 0.284 228 Y C 1.607 177.502 175.900 -0.007 0.000 1.189 228 Y CA 1.583 59.697 58.100 0.023 0.000 1.229 228 Y CB -1.275 37.269 38.460 0.140 0.000 0.973 228 Y HN 0.469 nan 8.280 nan 0.000 0.537 229 Y N -1.707 118.514 120.300 -0.132 0.000 2.481 229 Y HA 0.539 5.089 4.550 -0.000 0.000 0.247 229 Y C 0.899 176.757 175.900 -0.069 0.000 1.151 229 Y CA -0.975 57.080 58.100 -0.076 0.000 1.238 229 Y CB -0.851 37.513 38.460 -0.160 0.000 1.179 229 Y HN -0.013 nan 8.280 nan 0.000 0.524 230 V N 2.298 121.793 119.914 -0.698 0.000 3.484 230 V HA 0.475 4.595 4.120 -0.000 0.000 0.304 230 V C 0.325 176.326 176.094 -0.156 0.000 1.116 230 V CA -0.030 62.022 62.300 -0.413 0.000 1.187 230 V CB 0.802 32.385 31.823 -0.399 0.000 1.062 230 V HN 0.496 nan 8.190 nan 0.000 0.489 231 A N 5.204 127.967 122.820 -0.094 0.000 2.331 231 A HA 0.765 5.085 4.320 -0.000 0.000 0.320 231 A C -1.550 176.011 177.584 -0.038 0.000 1.138 231 A CA -1.391 50.622 52.037 -0.040 0.000 0.790 231 A CB 1.406 20.396 19.000 -0.017 0.000 1.206 231 A HN 0.695 nan 8.150 nan 0.000 0.470 232 P HA -0.228 nan 4.420 nan 0.000 0.215 232 P C 0.345 177.628 177.300 -0.028 0.000 1.157 232 P CA 1.533 64.619 63.100 -0.024 0.000 0.874 232 P CB -0.065 31.629 31.700 -0.010 0.000 0.790 233 E N -0.498 119.688 120.200 -0.024 0.000 2.780 233 E HA 0.097 4.447 4.350 -0.000 0.000 0.234 233 E C 0.899 177.481 176.600 -0.031 0.000 1.425 233 E CA 0.035 56.418 56.400 -0.028 0.000 1.481 233 E CB -0.706 28.982 29.700 -0.020 0.000 1.357 233 E HN 0.133 nan 8.360 nan 0.000 0.431 234 V N -0.558 119.334 119.914 -0.036 0.000 3.261 234 V HA -0.016 4.104 4.120 -0.000 0.000 0.212 234 V C 0.754 176.823 176.094 -0.042 0.000 1.381 234 V CA -0.185 62.091 62.300 -0.040 0.000 1.322 234 V CB -0.016 31.778 31.823 -0.049 0.000 1.188 234 V HN 0.360 nan 8.190 nan 0.000 0.520 235 L N 3.397 124.592 121.223 -0.046 0.000 3.783 235 L HA 0.301 4.641 4.340 -0.000 0.000 0.267 235 L C 0.933 177.781 176.870 -0.037 0.000 1.502 235 L CA 0.983 55.798 54.840 -0.041 0.000 1.111 235 L CB -2.331 39.703 42.059 -0.041 0.000 1.424 235 L HN 0.479 nan 8.230 nan 0.000 0.439 236 G N 2.465 111.243 108.800 -0.037 0.000 3.284 236 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.665 236 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.665 236 G C -1.242 173.630 174.900 -0.047 0.000 0.894 236 G CA -0.431 44.646 45.100 -0.039 0.000 0.838 236 G HN 0.462 nan 8.290 nan 0.000 0.501 237 P HA -0.065 nan 4.420 nan 0.000 0.210 237 P C 0.587 177.835 177.300 -0.086 0.000 1.189 237 P CA 1.635 64.694 63.100 -0.068 0.000 0.920 237 P CB 0.107 31.761 31.700 -0.075 0.000 0.782 238 E N -2.079 118.060 120.200 -0.103 0.000 7.592 238 E HA -0.066 4.284 4.350 -0.000 0.000 0.435 238 E C -0.866 175.614 176.600 -0.200 0.000 0.467 238 E CA -0.164 56.164 56.400 -0.119 0.000 0.881 238 E CB -0.165 29.480 29.700 -0.092 0.000 0.959 238 E HN -0.085 nan 8.360 nan 0.000 0.262 239 K N 2.488 122.753 120.400 -0.225 0.000 2.090 239 K HA 0.230 4.550 4.320 -0.000 0.000 0.249 239 K C -0.368 176.058 176.600 -0.290 0.000 0.995 239 K CA -0.281 55.765 56.287 -0.402 0.000 0.914 239 K CB 0.189 32.510 32.500 -0.298 0.000 1.057 239 K HN 0.405 nan 8.250 nan 0.000 0.462 240 Y N 0.617 120.893 120.300 -0.040 0.000 2.603 240 Y HA 0.145 4.695 4.550 -0.000 0.000 0.341 240 Y C 0.616 176.489 175.900 -0.045 0.000 1.272 240 Y CA -0.600 57.471 58.100 -0.047 0.000 1.891 240 Y CB -0.537 37.898 38.460 -0.041 0.000 1.910 240 Y HN 0.419 nan 8.280 nan 0.000 0.432 241 D N 1.062 121.511 120.400 0.082 0.000 2.324 241 D HA -0.061 4.579 4.640 -0.000 0.000 0.212 241 D C 1.462 177.790 176.300 0.046 0.000 0.984 241 D CA 0.484 54.524 54.000 0.067 0.000 0.885 241 D CB 0.386 41.211 40.800 0.041 0.000 0.996 241 D HN 0.497 nan 8.370 nan 0.000 0.505 242 K N 1.279 121.654 120.400 -0.043 0.000 2.057 242 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 242 K C 2.305 178.906 176.600 0.000 0.000 1.049 242 K CA 1.278 57.465 56.287 -0.166 0.000 0.931 242 K CB -0.186 31.915 32.500 -0.666 0.000 0.714 242 K HN 0.040 nan 8.250 nan 0.000 0.440 243 S N 1.201 116.919 115.700 0.029 0.000 2.420 243 S HA -0.242 4.228 4.470 -0.000 0.000 0.237 243 S C 2.313 176.971 174.600 0.097 0.000 1.023 243 S CA 1.310 59.553 58.200 0.072 0.000 0.991 243 S CB -0.977 62.265 63.200 0.071 0.000 0.792 243 S HN 0.399 nan 8.310 nan 0.000 0.488 244 C N 2.238 121.583 119.300 0.074 0.000 2.393 244 C HA -0.147 4.313 4.460 -0.000 0.000 0.276 244 C C 2.460 177.526 174.990 0.128 0.000 1.215 244 C CA 1.573 60.631 59.018 0.065 0.000 1.743 244 C CB -1.555 26.212 27.740 0.043 0.000 2.044 244 C HN 0.616 nan 8.230 nan 0.000 0.464 245 D N 0.010 120.495 120.400 0.141 0.000 2.144 245 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 245 D C 2.178 178.524 176.300 0.077 0.000 0.984 245 D CA 1.177 55.243 54.000 0.109 0.000 0.834 245 D CB -0.442 40.441 40.800 0.139 0.000 0.955 245 D HN 0.399 nan 8.370 nan 0.000 0.465 246 M N -0.354 119.312 119.600 0.111 0.000 2.213 246 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 246 M C 2.074 178.407 176.300 0.055 0.000 1.062 246 M CA 0.762 56.082 55.300 0.033 0.000 1.105 246 M CB -1.129 31.512 32.600 0.068 0.000 1.385 246 M HN 0.329 nan 8.290 nan 0.000 0.417 247 W N 1.422 122.692 121.300 -0.051 0.000 2.353 247 W HA -0.180 4.480 4.660 -0.000 0.000 0.319 247 W C 2.073 178.555 176.519 -0.062 0.000 1.207 247 W CA 1.889 59.203 57.345 -0.051 0.000 1.291 247 W CB -0.731 28.700 29.460 -0.047 0.000 1.159 247 W HN 0.218 nan 8.180 nan 0.000 0.478 248 S N 1.819 117.652 115.700 0.222 0.000 2.390 248 S HA -0.316 4.154 4.470 -0.000 0.000 0.234 248 S C 1.786 176.317 174.600 -0.114 0.000 1.063 248 S CA 2.274 60.498 58.200 0.040 0.000 1.108 248 S CB -1.156 62.051 63.200 0.011 0.000 0.975 248 S HN 0.305 nan 8.310 nan 0.000 0.442 249 L N 1.423 122.564 121.223 -0.137 0.000 2.079 249 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 249 L C 2.419 179.174 176.870 -0.192 0.000 1.081 249 L CA 1.830 56.542 54.840 -0.212 0.000 0.752 249 L CB -1.106 40.734 42.059 -0.365 0.000 0.896 249 L HN 0.391 nan 8.230 nan 0.000 0.433 250 G N -1.771 106.890 108.800 -0.231 0.000 2.422 250 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 250 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 250 G C 1.483 176.232 174.900 -0.253 0.000 1.140 250 G CA 0.951 45.907 45.100 -0.241 0.000 0.775 250 G HN 0.313 nan 8.290 nan 0.000 0.545 251 V N 1.096 120.813 119.914 -0.329 0.000 2.407 251 V HA -0.048 4.072 4.120 -0.000 0.000 0.245 251 V C 2.741 178.845 176.094 0.017 0.000 1.041 251 V CA 1.046 63.206 62.300 -0.233 0.000 1.040 251 V CB -0.327 31.361 31.823 -0.225 0.000 0.671 251 V HN 0.363 nan 8.190 nan 0.000 0.455 252 I N -0.269 120.309 120.570 0.014 0.000 2.208 252 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 252 I C 2.523 178.764 176.117 0.207 0.000 1.097 252 I CA 2.144 63.516 61.300 0.121 0.000 1.363 252 I CB -0.326 37.682 38.000 0.015 0.000 1.051 252 I HN 0.339 nan 8.210 nan 0.000 0.413 253 M N -0.311 119.372 119.600 0.140 0.000 2.213 253 M HA -0.272 4.208 4.480 -0.000 0.000 0.263 253 M C 2.411 178.823 176.300 0.188 0.000 1.062 253 M CA 1.840 57.249 55.300 0.181 0.000 1.105 253 M CB -0.200 32.492 32.600 0.153 0.000 1.385 253 M HN 0.219 nan 8.290 nan 0.000 0.417 254 Y N 0.963 121.301 120.300 0.062 0.000 2.133 254 Y HA -0.194 4.356 4.550 -0.000 0.000 0.287 254 Y C 1.881 177.829 175.900 0.080 0.000 1.134 254 Y CA 2.095 60.271 58.100 0.127 0.000 1.133 254 Y CB -0.183 38.241 38.460 -0.059 0.000 0.987 254 Y HN 0.169 nan 8.280 nan 0.000 0.502 255 I N -0.206 120.496 120.570 0.220 0.000 2.226 255 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 255 I C 2.429 178.493 176.117 -0.089 0.000 1.100 255 I CA 1.138 62.492 61.300 0.090 0.000 1.374 255 I CB -0.540 37.693 38.000 0.388 0.000 1.057 255 I HN 0.304 nan 8.210 nan 0.000 0.413 256 L N 0.389 121.677 121.223 0.109 0.000 2.137 256 L HA -0.268 4.072 4.340 -0.000 0.000 0.213 256 L C 2.335 179.221 176.870 0.027 0.000 1.085 256 L CA 1.723 56.640 54.840 0.128 0.000 0.760 256 L CB -0.277 41.969 42.059 0.311 0.000 0.893 256 L HN 0.367 nan 8.230 nan 0.000 0.434 257 L N -1.535 119.558 121.223 -0.217 0.000 2.529 257 L HA -0.063 4.277 4.340 -0.000 0.000 0.223 257 L C 1.861 178.258 176.870 -0.788 0.000 1.113 257 L CA 0.317 54.876 54.840 -0.468 0.000 0.861 257 L CB 0.155 41.830 42.059 -0.639 0.000 1.012 257 L HN 0.531 nan 8.230 nan 0.000 0.461 258 C N -4.357 114.461 119.300 -0.803 0.000 4.095 258 C HA 0.571 5.031 4.460 -0.000 0.000 0.327 258 C C 1.510 176.190 174.990 -0.517 0.000 1.811 258 C CA -0.015 58.485 59.018 -0.863 0.000 1.785 258 C CB 0.261 27.106 27.740 -1.492 0.000 3.120 258 C HN 0.563 nan 8.230 nan 0.000 0.621 259 G N 0.904 109.445 108.800 -0.432 0.000 2.179 259 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.260 259 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.260 259 G C -0.321 174.546 174.900 -0.056 0.000 0.977 259 G CA 1.122 46.052 45.100 -0.283 0.000 0.641 259 G HN 1.642 nan 8.290 nan 0.000 0.533 260 Y N -1.832 118.426 120.300 -0.070 0.000 2.615 260 Y HA 0.841 5.391 4.550 -0.000 0.000 0.341 260 Y C -2.826 173.195 175.900 0.202 0.000 1.089 260 Y CA -3.164 54.982 58.100 0.076 0.000 1.049 260 Y CB 0.783 39.278 38.460 0.059 0.000 1.296 260 Y HN 0.068 nan 8.280 nan 0.000 0.470 261 P HA 0.236 nan 4.420 nan 0.000 0.281 261 P C -2.379 174.890 177.300 -0.052 0.000 1.249 261 P CA -2.002 61.233 63.100 0.226 0.000 0.810 261 P CB 1.992 33.831 31.700 0.232 0.000 1.008 262 P HA 0.036 nan 4.420 nan 0.000 0.224 262 P C -0.145 176.600 177.300 -0.925 0.000 1.157 262 P CA 0.887 63.213 63.100 -1.291 0.000 0.799 262 P CB 0.185 30.461 31.700 -2.374 0.000 0.809 263 F N -0.244 119.575 119.950 -0.219 0.000 2.347 263 F HA 0.342 4.869 4.527 -0.000 0.000 0.366 263 F C 0.894 176.757 175.800 0.105 0.000 1.107 263 F CA -1.094 56.892 58.000 -0.023 0.000 1.058 263 F CB 0.571 39.592 39.000 0.035 0.000 1.236 263 F HN -0.193 nan 8.300 nan 0.000 0.456 264 Y N 1.003 121.418 120.300 0.192 0.000 2.299 264 Y HA 0.058 4.608 4.550 -0.000 0.000 0.335 264 Y C 1.581 177.565 175.900 0.139 0.000 1.287 264 Y CA 0.059 58.252 58.100 0.155 0.000 1.424 264 Y CB 1.437 39.968 38.460 0.117 0.000 1.326 264 Y HN 0.660 nan 8.280 nan 0.000 0.567 265 S N 1.065 116.958 115.700 0.321 0.000 2.541 265 S HA 0.059 4.529 4.470 -0.000 0.000 0.219 265 S C 0.258 174.905 174.600 0.077 0.000 1.025 265 S CA 0.748 59.048 58.200 0.166 0.000 0.917 265 S CB -0.493 62.793 63.200 0.144 0.000 0.859 265 S HN 0.949 nan 8.310 nan 0.000 0.584 272 S N 5.342 121.061 115.700 0.032 0.000 2.559 272 S HA 0.387 4.857 4.470 -0.000 0.000 0.226 272 S C -1.551 173.065 174.600 0.026 0.000 1.030 272 S CA 0.023 58.246 58.200 0.039 0.000 0.956 272 S CB -0.061 63.160 63.200 0.035 0.000 0.900 272 S HN 0.631 nan 8.310 nan 0.000 0.510 273 P HA 0.147 nan 4.420 nan 0.000 0.226 273 P C 1.274 178.582 177.300 0.012 0.000 1.153 273 P CA 0.811 63.916 63.100 0.009 0.000 0.777 273 P CB -0.341 31.363 31.700 0.005 0.000 0.794 274 G N -1.292 107.524 108.800 0.026 0.000 2.838 274 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.210 274 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.210 274 G C 1.303 176.238 174.900 0.058 0.000 1.153 274 G CA 0.038 45.160 45.100 0.036 0.000 0.778 274 G HN 0.190 nan 8.290 nan 0.000 0.539 275 M N -0.227 119.411 119.600 0.064 0.000 2.287 275 M HA 0.207 4.687 4.480 -0.000 0.000 0.266 275 M C 2.406 178.727 176.300 0.034 0.000 1.079 275 M CA 0.877 56.235 55.300 0.096 0.000 1.146 275 M CB -0.044 32.625 32.600 0.115 0.000 1.374 275 M HN 0.117 nan 8.290 nan 0.000 0.435 276 K N -0.350 120.049 120.400 -0.001 0.000 2.034 276 K HA -0.173 4.147 4.320 -0.000 0.000 0.214 276 K C 1.592 178.150 176.600 -0.070 0.000 1.051 276 K CA 2.471 58.728 56.287 -0.050 0.000 0.931 276 K CB -0.124 32.351 32.500 -0.040 0.000 0.715 276 K HN 0.387 nan 8.250 nan 0.000 0.446 277 T N 0.082 114.618 114.554 -0.029 0.000 2.896 277 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 277 T C 1.623 176.319 174.700 -0.007 0.000 1.050 277 T CA 0.896 62.981 62.100 -0.025 0.000 1.140 277 T CB -0.088 68.777 68.868 -0.004 0.000 0.877 277 T HN 0.244 nan 8.240 nan 0.000 0.457 278 R N 0.448 120.976 120.500 0.046 0.000 2.189 278 R HA 0.228 4.568 4.340 -0.000 0.000 0.218 278 R C 2.197 178.501 176.300 0.008 0.000 1.074 278 R CA 0.589 56.765 56.100 0.126 0.000 0.991 278 R CB -0.403 30.054 30.300 0.263 0.000 0.883 278 R HN 0.375 nan 8.270 nan 0.000 0.457 279 I N 0.846 121.251 120.570 -0.275 0.000 2.252 279 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 279 I C 2.154 178.020 176.117 -0.419 0.000 1.102 279 I CA 1.392 62.247 61.300 -0.742 0.000 1.385 279 I CB -0.071 37.632 38.000 -0.496 0.000 1.064 279 I HN 0.130 nan 8.210 nan 0.000 0.414 280 R N -0.150 120.206 120.500 -0.238 0.000 2.115 280 R HA -0.037 4.303 4.340 -0.000 0.000 0.226 280 R C 2.002 178.249 176.300 -0.089 0.000 1.100 280 R CA 0.997 56.993 56.100 -0.173 0.000 0.980 280 R CB -0.151 30.070 30.300 -0.131 0.000 0.875 280 R HN 0.284 nan 8.270 nan 0.000 0.445 281 M N -0.608 118.969 119.600 -0.038 0.000 2.514 281 M HA 0.156 4.636 4.480 -0.000 0.000 0.258 281 M C 0.889 177.231 176.300 0.071 0.000 1.119 281 M CA 0.810 56.118 55.300 0.013 0.000 1.111 281 M CB 0.183 32.797 32.600 0.023 0.000 1.390 281 M HN 0.462 nan 8.290 nan 0.000 0.475 282 G N 1.919 110.815 108.800 0.160 0.000 2.171 282 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.238 282 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.238 282 G C -0.104 174.955 174.900 0.265 0.000 1.039 282 G CA -0.175 45.133 45.100 0.346 0.000 0.759 282 G HN 0.526 nan 8.290 nan 0.000 0.501 283 Q N -0.161 119.848 119.800 0.347 0.000 2.490 283 Q HA 0.534 4.874 4.340 -0.000 0.000 0.226 283 Q C -0.166 175.950 176.000 0.193 0.000 1.132 283 Q CA -0.418 55.479 55.803 0.157 0.000 0.928 283 Q CB 0.262 29.085 28.738 0.141 0.000 1.299 283 Q HN 0.776 nan 8.270 nan 0.000 0.528 284 Y N -1.187 119.022 120.300 -0.152 0.000 2.597 284 Y HA 0.652 5.202 4.550 -0.000 0.000 0.340 284 Y C -0.712 174.911 175.900 -0.461 0.000 1.097 284 Y CA -1.312 56.514 58.100 -0.456 0.000 1.037 284 Y CB 1.504 39.390 38.460 -0.957 0.000 1.305 284 Y HN 0.151 nan 8.280 nan 0.000 0.463 285 E N 1.036 121.065 120.200 -0.284 0.000 2.339 285 E HA 0.479 4.829 4.350 -0.000 0.000 0.262 285 E C -1.838 174.471 176.600 -0.485 0.000 0.934 285 E CA -1.181 55.038 56.400 -0.302 0.000 0.802 285 E CB 2.313 31.966 29.700 -0.079 0.000 1.275 285 E HN 0.636 nan 8.360 nan 0.000 0.427 286 F N 2.250 122.060 119.950 -0.233 0.000 2.366 286 F HA 0.246 4.773 4.527 -0.000 0.000 0.328 286 F C -1.933 173.791 175.800 -0.127 0.000 1.180 286 F CA -1.919 55.721 58.000 -0.599 0.000 1.232 286 F CB 0.649 39.137 39.000 -0.852 0.000 1.513 286 F HN 0.020 nan 8.300 nan 0.000 0.540 287 P HA -0.074 nan 4.420 nan 0.000 0.265 287 P C -0.181 177.343 177.300 0.373 0.000 1.193 287 P CA 0.109 63.406 63.100 0.328 0.000 0.765 287 P CB 0.761 32.679 31.700 0.363 0.000 0.823 288 N N 3.711 122.547 118.700 0.226 0.000 2.503 288 N HA 0.102 4.842 4.740 -0.000 0.000 0.267 288 N C -0.716 174.876 175.510 0.137 0.000 1.214 288 N CA -1.555 51.594 53.050 0.166 0.000 0.959 288 N CB 0.151 38.708 38.487 0.116 0.000 1.142 288 N HN 0.362 nan 8.380 nan 0.000 0.455 289 P HA -0.040 nan 4.420 nan 0.000 0.215 289 P C 0.505 177.701 177.300 -0.173 0.000 1.157 289 P CA 1.082 64.203 63.100 0.035 0.000 0.856 289 P CB 0.482 32.254 31.700 0.119 0.000 0.786 290 E N -0.181 119.784 120.200 -0.391 0.000 2.108 290 E HA -0.203 4.147 4.350 -0.000 0.000 0.203 290 E C 1.750 177.954 176.600 -0.661 0.000 1.022 290 E CA 1.711 57.540 56.400 -0.952 0.000 0.823 290 E CB -1.064 28.284 29.700 -0.587 0.000 0.744 290 E HN 0.469 nan 8.360 nan 0.000 0.456 291 W N 0.302 121.469 121.300 -0.222 0.000 3.139 291 W HA 0.071 4.731 4.660 -0.000 0.000 0.260 291 W C 2.221 178.664 176.519 -0.128 0.000 1.312 291 W CA 0.635 57.883 57.345 -0.162 0.000 1.606 291 W CB -0.006 29.420 29.460 -0.056 0.000 1.118 291 W HN 0.042 nan 8.180 nan 0.000 0.675 292 S N 0.094 115.840 115.700 0.077 0.000 2.370 292 S HA -0.235 4.235 4.470 -0.000 0.000 0.226 292 S C 1.425 176.047 174.600 0.036 0.000 1.033 292 S CA 1.385 59.624 58.200 0.065 0.000 1.011 292 S CB -0.449 62.782 63.200 0.051 0.000 0.852 292 S HN 0.278 nan 8.310 nan 0.000 0.457 293 E N 1.147 121.352 120.200 0.008 0.000 2.427 293 E HA 0.131 4.481 4.350 -0.000 0.000 0.196 293 E C 0.112 176.705 176.600 -0.011 0.000 1.028 293 E CA 0.078 56.477 56.400 -0.001 0.000 0.864 293 E CB -0.169 29.529 29.700 -0.003 0.000 0.813 293 E HN 0.388 nan 8.360 nan 0.000 0.514 294 V N 3.346 123.258 119.914 -0.003 0.000 2.470 294 V HA -0.016 4.104 4.120 -0.000 0.000 0.276 294 V C 0.897 176.966 176.094 -0.042 0.000 1.040 294 V CA -0.360 61.934 62.300 -0.009 0.000 1.008 294 V CB 0.792 32.688 31.823 0.121 0.000 0.990 294 V HN 0.150 nan 8.190 nan 0.000 0.477 295 S N 3.860 119.524 115.700 -0.060 0.000 2.572 295 S HA 0.066 4.536 4.470 -0.000 0.000 0.267 295 S C 0.883 175.408 174.600 -0.126 0.000 1.361 295 S CA -0.230 57.930 58.200 -0.068 0.000 1.009 295 S CB 0.790 63.967 63.200 -0.038 0.000 0.888 295 S HN 0.758 nan 8.310 nan 0.000 0.553 296 E N 0.272 120.412 120.200 -0.100 0.000 2.358 296 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 296 E C 1.838 178.370 176.600 -0.113 0.000 1.010 296 E CA 0.414 56.738 56.400 -0.128 0.000 0.856 296 E CB -0.115 29.537 29.700 -0.080 0.000 0.795 296 E HN 0.902 nan 8.360 nan 0.000 0.504 297 E N 0.461 120.619 120.200 -0.070 0.000 2.110 297 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 297 E C 1.973 178.517 176.600 -0.092 0.000 0.988 297 E CA 0.869 57.258 56.400 -0.018 0.000 0.804 297 E CB 0.312 30.039 29.700 0.044 0.000 0.745 297 E HN 0.027 nan 8.360 nan 0.000 0.458 298 V N 1.257 121.018 119.914 -0.255 0.000 2.323 298 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 298 V C 2.240 178.096 176.094 -0.397 0.000 1.041 298 V CA 1.855 63.865 62.300 -0.485 0.000 1.025 298 V CB -0.330 31.117 31.823 -0.627 0.000 0.656 298 V HN 0.214 nan 8.190 nan 0.000 0.451 299 K N -0.695 119.439 120.400 -0.444 0.000 2.103 299 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 299 K C 2.138 178.602 176.600 -0.228 0.000 1.048 299 K CA 1.709 57.589 56.287 -0.678 0.000 0.930 299 K CB -0.324 31.536 32.500 -1.068 0.000 0.716 299 K HN 0.241 nan 8.250 nan 0.000 0.444 300 M N 1.219 120.732 119.600 -0.146 0.000 2.117 300 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 300 M C 1.921 178.238 176.300 0.028 0.000 1.065 300 M CA 1.254 56.546 55.300 -0.013 0.000 1.114 300 M CB -0.421 32.183 32.600 0.007 0.000 1.361 300 M HN 0.126 nan 8.290 nan 0.000 0.408 301 L N 0.127 121.333 121.223 -0.028 0.000 2.017 301 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 301 L C 2.145 179.020 176.870 0.008 0.000 1.073 301 L CA 1.825 56.651 54.840 -0.024 0.000 0.745 301 L CB -0.869 41.009 42.059 -0.300 0.000 0.894 301 L HN 0.362 nan 8.230 nan 0.000 0.432 302 I N -0.559 119.992 120.570 -0.032 0.000 2.248 302 I HA -0.338 3.832 4.170 -0.000 0.000 0.248 302 I C 2.657 178.801 176.117 0.045 0.000 1.107 302 I CA 1.446 62.759 61.300 0.021 0.000 1.373 302 I CB -0.788 37.288 38.000 0.127 0.000 1.055 302 I HN 0.385 nan 8.210 nan 0.000 0.418 303 R N 0.714 121.299 120.500 0.141 0.000 2.115 303 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 303 R C 1.669 178.058 176.300 0.148 0.000 1.111 303 R CA 1.353 57.578 56.100 0.208 0.000 0.976 303 R CB -0.242 30.199 30.300 0.235 0.000 0.870 303 R HN 0.404 nan 8.270 nan 0.000 0.445 304 N N -0.081 118.690 118.700 0.118 0.000 2.467 304 N HA 0.017 4.757 4.740 -0.000 0.000 0.184 304 N C 1.180 176.759 175.510 0.114 0.000 1.106 304 N CA 0.373 53.496 53.050 0.122 0.000 0.892 304 N CB 0.296 38.861 38.487 0.131 0.000 0.969 304 N HN 0.132 nan 8.380 nan 0.000 0.454 305 L N -0.637 120.628 121.223 0.070 0.000 2.316 305 L HA 0.168 4.508 4.340 -0.000 0.000 0.207 305 L C 1.029 177.906 176.870 0.011 0.000 1.070 305 L CA 0.493 55.351 54.840 0.030 0.000 0.820 305 L CB 0.109 42.141 42.059 -0.046 0.000 0.992 305 L HN 0.143 nan 8.230 nan 0.000 0.466 306 L N -0.078 121.093 121.223 -0.086 0.000 2.653 306 L HA 0.084 4.424 4.340 -0.000 0.000 0.232 306 L C 0.491 177.551 176.870 0.317 0.000 1.169 306 L CA -0.141 54.573 54.840 -0.210 0.000 0.951 306 L CB -0.386 41.310 42.059 -0.605 0.000 1.181 306 L HN 0.064 nan 8.230 nan 0.000 0.460 307 K N 0.856 121.429 120.400 0.289 0.000 2.524 307 K HA -0.035 4.285 4.320 -0.000 0.000 0.279 307 K C 1.468 178.266 176.600 0.329 0.000 0.993 307 K CA 0.513 56.965 56.287 0.275 0.000 1.030 307 K CB 1.112 33.716 32.500 0.174 0.000 0.891 307 K HN 0.172 nan 8.250 nan 0.000 0.488 308 T N -1.607 113.081 114.554 0.223 0.000 3.014 308 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 308 T C 0.689 175.364 174.700 -0.042 0.000 1.078 308 T CA 0.279 62.420 62.100 0.068 0.000 1.135 308 T CB 0.138 69.024 68.868 0.029 0.000 0.895 308 T HN 0.442 nan 8.240 nan 0.000 0.480 309 E N 2.989 123.186 120.200 -0.005 0.000 2.129 309 E HA 0.279 4.629 4.350 -0.000 0.000 0.283 309 E C -1.899 174.670 176.600 -0.053 0.000 1.080 309 E CA -3.012 53.356 56.400 -0.052 0.000 0.867 309 E CB 1.222 30.909 29.700 -0.022 0.000 1.056 309 E HN 0.071 nan 8.360 nan 0.000 0.404 310 P HA -0.216 nan 4.420 nan 0.000 0.217 310 P C 1.146 178.434 177.300 -0.019 0.000 1.151 310 P CA 1.952 64.978 63.100 -0.122 0.000 0.849 310 P CB 0.130 31.624 31.700 -0.345 0.000 0.787 311 T N -2.861 111.685 114.554 -0.013 0.000 3.014 311 T HA -0.095 4.255 4.350 -0.000 0.000 0.263 311 T C 1.919 176.651 174.700 0.053 0.000 1.078 311 T CA 0.789 62.923 62.100 0.057 0.000 1.135 311 T CB -0.742 68.175 68.868 0.082 0.000 0.895 311 T HN 0.070 nan 8.240 nan 0.000 0.480 312 Q N 0.140 119.965 119.800 0.042 0.000 2.364 312 Q HA 0.059 4.399 4.340 -0.000 0.000 0.209 312 Q C 1.149 177.195 176.000 0.076 0.000 0.977 312 Q CA 0.381 56.218 55.803 0.056 0.000 0.885 312 Q CB 0.036 28.805 28.738 0.052 0.000 0.941 312 Q HN 0.482 nan 8.270 nan 0.000 0.464 313 R N 0.875 121.425 120.500 0.083 0.000 2.438 313 R HA 0.130 4.470 4.340 -0.000 0.000 0.287 313 R C 0.034 176.397 176.300 0.106 0.000 1.077 313 R CA -0.213 55.951 56.100 0.107 0.000 1.034 313 R CB 0.514 30.885 30.300 0.119 0.000 0.993 313 R HN 0.105 nan 8.270 nan 0.000 0.459 314 M N 2.814 122.486 119.600 0.120 0.000 2.234 314 M HA -0.063 4.417 4.480 -0.000 0.000 0.326 314 M C -0.107 176.271 176.300 0.131 0.000 1.077 314 M CA 0.992 56.374 55.300 0.137 0.000 1.052 314 M CB 0.572 33.279 32.600 0.178 0.000 1.607 314 M HN 0.784 nan 8.290 nan 0.000 0.445 315 T N 1.837 116.475 114.554 0.140 0.000 2.943 315 T HA 0.293 4.643 4.350 -0.000 0.000 0.284 315 T C 0.798 175.610 174.700 0.185 0.000 1.015 315 T CA -0.973 61.207 62.100 0.134 0.000 1.042 315 T CB 1.121 70.051 68.868 0.103 0.000 1.055 315 T HN 0.721 nan 8.240 nan 0.000 0.500 316 I N 1.967 122.656 120.570 0.198 0.000 2.399 316 I HA -0.108 4.062 4.170 -0.000 0.000 0.254 316 I C 2.128 178.397 176.117 0.253 0.000 1.146 316 I CA 1.879 63.320 61.300 0.236 0.000 1.412 316 I CB -0.717 37.452 38.000 0.281 0.000 1.076 316 I HN 0.913 nan 8.210 nan 0.000 0.432 317 T N 0.166 114.838 114.554 0.197 0.000 2.851 317 T HA -0.070 4.280 4.350 -0.000 0.000 0.262 317 T C 1.666 176.469 174.700 0.171 0.000 1.043 317 T CA 1.227 63.427 62.100 0.166 0.000 1.140 317 T CB -0.205 68.737 68.868 0.122 0.000 0.872 317 T HN 0.466 nan 8.240 nan 0.000 0.446 318 E N 0.799 121.104 120.200 0.176 0.000 2.097 318 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 318 E C 1.891 178.630 176.600 0.231 0.000 1.000 318 E CA 1.169 57.673 56.400 0.174 0.000 0.804 318 E CB -0.377 29.423 29.700 0.167 0.000 0.740 318 E HN 0.501 nan 8.360 nan 0.000 0.454 319 F N 1.194 121.224 119.950 0.133 0.000 2.102 319 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 319 F C 2.229 178.117 175.800 0.147 0.000 1.105 319 F CA 1.156 59.243 58.000 0.145 0.000 1.239 319 F CB 0.034 39.098 39.000 0.107 0.000 0.991 319 F HN -0.082 nan 8.300 nan 0.000 0.474 320 M N 0.271 119.992 119.600 0.201 0.000 2.549 320 M HA -0.129 4.351 4.480 -0.000 0.000 0.260 320 M C 1.128 177.433 176.300 0.009 0.000 1.076 320 M CA 0.999 56.339 55.300 0.066 0.000 1.090 320 M CB -1.277 31.408 32.600 0.142 0.000 1.418 320 M HN 0.233 nan 8.290 nan 0.000 0.486 321 N N -1.283 117.445 118.700 0.046 0.000 2.250 321 N HA -0.031 4.709 4.740 -0.000 0.000 0.190 321 N C 0.369 175.902 175.510 0.038 0.000 1.116 321 N CA 0.088 53.161 53.050 0.038 0.000 0.881 321 N CB 0.158 38.674 38.487 0.049 0.000 1.006 321 N HN 0.334 nan 8.380 nan 0.000 0.491 322 H N 2.483 121.520 119.070 -0.055 0.000 3.001 322 H HA 0.039 4.595 4.556 -0.000 0.000 0.334 322 H C -1.605 173.702 175.328 -0.036 0.000 1.034 322 H CA -0.739 55.286 56.048 -0.040 0.000 1.420 322 H CB 1.450 31.170 29.762 -0.070 0.000 1.405 322 H HN -0.038 nan 8.280 nan 0.000 0.593 323 P HA -0.131 nan 4.420 nan 0.000 0.217 323 P C 1.404 178.867 177.300 0.272 0.000 1.150 323 P CA 1.216 64.404 63.100 0.147 0.000 0.832 323 P CB -0.204 31.523 31.700 0.045 0.000 0.787 324 W N -0.108 121.388 121.300 0.327 0.000 2.387 324 W HA -0.141 4.519 4.660 -0.000 0.000 0.272 324 W C 1.461 177.921 176.519 -0.098 0.000 1.224 324 W CA 1.290 58.649 57.345 0.023 0.000 1.210 324 W CB -0.248 29.131 29.460 -0.136 0.000 1.125 324 W HN -0.167 nan 8.180 nan 0.000 0.572 325 I N -0.994 119.564 120.570 -0.020 0.000 2.685 325 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 325 I C 2.371 178.375 176.117 -0.187 0.000 1.102 325 I CA 0.667 61.817 61.300 -0.251 0.000 1.442 325 I CB -1.407 36.355 38.000 -0.397 0.000 1.194 325 I HN -0.056 nan 8.210 nan 0.000 0.448 326 M N 1.194 120.741 119.600 -0.089 0.000 2.539 326 M HA -0.217 4.263 4.480 -0.000 0.000 0.265 326 M C 0.897 177.154 176.300 -0.072 0.000 1.064 326 M CA 1.814 57.081 55.300 -0.056 0.000 1.077 326 M CB -0.994 31.597 32.600 -0.014 0.000 1.246 326 M HN 0.325 nan 8.290 nan 0.000 0.470 327 Q N -0.192 119.569 119.800 -0.066 0.000 2.441 327 Q HA 0.205 4.545 4.340 -0.000 0.000 0.234 327 Q C 0.478 176.394 176.000 -0.141 0.000 1.078 327 Q CA -0.038 55.718 55.803 -0.079 0.000 0.907 327 Q CB 0.916 29.624 28.738 -0.049 0.000 1.269 327 Q HN 0.181 nan 8.270 nan 0.000 0.502 328 S N 2.569 118.163 115.700 -0.177 0.000 2.446 328 S HA -0.033 4.437 4.470 -0.000 0.000 0.225 328 S C 0.981 175.450 174.600 -0.219 0.000 1.016 328 S CA 0.968 59.004 58.200 -0.274 0.000 0.943 328 S CB 0.221 63.263 63.200 -0.263 0.000 0.786 328 S HN 0.711 nan 8.310 nan 0.000 0.508 329 T N 1.441 115.912 114.554 -0.140 0.000 3.163 329 T HA 0.259 4.609 4.350 -0.000 0.000 0.252 329 T C 0.604 175.253 174.700 -0.086 0.000 1.056 329 T CA -0.139 61.896 62.100 -0.108 0.000 0.947 329 T CB 0.165 68.987 68.868 -0.077 0.000 1.016 329 T HN 0.203 nan 8.240 nan 0.000 0.554 330 K N 1.445 121.791 120.400 -0.090 0.000 2.576 330 K HA 0.354 4.674 4.320 -0.000 0.000 0.209 330 K C -0.360 176.204 176.600 -0.060 0.000 1.049 330 K CA -0.098 56.153 56.287 -0.060 0.000 1.140 330 K CB 0.949 33.424 32.500 -0.041 0.000 0.871 330 K HN 0.193 nan 8.250 nan 0.000 0.479 331 V N 2.990 122.844 119.914 -0.100 0.000 2.435 331 V HA 0.235 4.355 4.120 -0.000 0.000 0.290 331 V C -2.282 173.775 176.094 -0.061 0.000 1.030 331 V CA -2.376 59.870 62.300 -0.091 0.000 0.881 331 V CB 1.778 33.458 31.823 -0.238 0.000 0.983 331 V HN 0.093 nan 8.190 nan 0.000 0.445 332 P HA -0.041 nan 4.420 nan 0.000 0.264 332 P C 0.068 177.345 177.300 -0.038 0.000 1.173 332 P CA 0.416 63.509 63.100 -0.012 0.000 0.761 332 P CB 0.280 31.991 31.700 0.018 0.000 0.794 333 Q N 0.293 120.067 119.800 -0.044 0.000 2.228 333 Q HA 0.021 4.361 4.340 -0.000 0.000 0.211 333 Q C 0.605 176.573 176.000 -0.054 0.000 0.890 333 Q CA 0.098 55.865 55.803 -0.060 0.000 0.953 333 Q CB -0.302 28.404 28.738 -0.054 0.000 1.053 333 Q HN 0.539 nan 8.270 nan 0.000 0.471 334 T N 1.433 115.964 114.554 -0.039 0.000 2.903 334 T HA 0.030 4.380 4.350 -0.000 0.000 0.299 334 T C -2.530 172.138 174.700 -0.054 0.000 1.041 334 T CA -0.800 61.279 62.100 -0.034 0.000 1.138 334 T CB 0.572 69.429 68.868 -0.019 0.000 1.040 334 T HN -0.037 nan 8.240 nan 0.000 0.524 335 P HA 0.464 nan 4.420 nan 0.000 0.286 335 P C -0.878 176.415 177.300 -0.012 0.000 1.261 335 P CA -0.838 62.239 63.100 -0.039 0.000 0.821 335 P CB 0.830 32.512 31.700 -0.031 0.000 1.013 336 L N 2.477 123.696 121.223 -0.006 0.000 2.313 336 L HA 0.366 4.706 4.340 -0.000 0.000 0.268 336 L C 1.316 178.274 176.870 0.146 0.000 1.010 336 L CA -0.611 54.252 54.840 0.037 0.000 0.814 336 L CB -0.217 41.785 42.059 -0.094 0.000 1.304 336 L HN 0.448 nan 8.230 nan 0.000 0.441 337 H N -0.825 118.160 119.070 -0.141 0.000 2.556 337 H HA 0.054 4.610 4.556 -0.000 0.000 0.268 337 H C 1.504 176.764 175.328 -0.113 0.000 0.996 337 H CA 0.416 56.401 56.048 -0.106 0.000 1.157 337 H CB -0.426 29.278 29.762 -0.097 0.000 1.355 337 H HN 0.570 nan 8.280 nan 0.000 0.597 338 T N -0.803 113.754 114.554 0.005 0.000 2.665 338 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 338 T C 2.342 176.935 174.700 -0.178 0.000 1.035 338 T CA 1.898 63.930 62.100 -0.114 0.000 1.151 338 T CB -0.129 68.707 68.868 -0.053 0.000 0.862 338 T HN 0.353 nan 8.240 nan 0.000 0.438 339 S N -0.134 115.484 115.700 -0.137 0.000 2.387 339 S HA 0.008 4.478 4.470 -0.000 0.000 0.226 339 S C 2.113 176.625 174.600 -0.146 0.000 1.026 339 S CA 0.859 58.946 58.200 -0.188 0.000 0.972 339 S CB -0.140 62.972 63.200 -0.147 0.000 0.814 339 S HN 0.428 nan 8.310 nan 0.000 0.477 340 R N 0.810 121.252 120.500 -0.097 0.000 2.097 340 R HA -0.111 4.229 4.340 -0.000 0.000 0.236 340 R C 1.989 178.244 176.300 -0.076 0.000 1.135 340 R CA 2.141 58.194 56.100 -0.079 0.000 0.934 340 R CB -0.695 29.564 30.300 -0.068 0.000 0.846 340 R HN 0.279 nan 8.270 nan 0.000 0.431 341 V N 1.199 121.082 119.914 -0.053 0.000 2.407 341 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 341 V C 2.329 178.367 176.094 -0.094 0.000 1.055 341 V CA 1.298 63.585 62.300 -0.021 0.000 1.049 341 V CB -0.572 31.284 31.823 0.055 0.000 0.662 341 V HN 0.333 nan 8.190 nan 0.000 0.455 342 L N 0.686 121.786 121.223 -0.205 0.000 2.017 342 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 342 L C 1.481 178.165 176.870 -0.310 0.000 1.073 342 L CA 1.722 56.340 54.840 -0.369 0.000 0.745 342 L CB -0.698 41.050 42.059 -0.518 0.000 0.894 342 L HN 0.481 nan 8.230 nan 0.000 0.432 343 K N 0.096 120.370 120.400 -0.210 0.000 2.211 343 K HA 0.181 4.501 4.320 -0.000 0.000 0.275 343 K C 0.241 176.795 176.600 -0.076 0.000 1.024 343 K CA 0.068 56.276 56.287 -0.132 0.000 0.887 343 K CB 1.403 33.835 32.500 -0.114 0.000 1.084 343 K HN 0.263 nan 8.250 nan 0.000 0.463 344 E N 1.902 122.078 120.200 -0.040 0.000 4.393 344 E HA -0.139 4.211 4.350 -0.000 0.000 0.400 344 E C -0.936 175.664 176.600 -0.001 0.000 0.566 344 E CA 0.746 57.136 56.400 -0.017 0.000 1.524 344 E CB -0.965 28.720 29.700 -0.025 0.000 1.913 344 E HN 0.818 nan 8.360 nan 0.000 0.328 345 D N 0.245 120.643 120.400 -0.004 0.000 2.539 345 D HA 0.178 4.818 4.640 -0.000 0.000 0.232 345 D C 1.216 177.562 176.300 0.078 0.000 1.256 345 D CA 0.411 54.438 54.000 0.045 0.000 0.810 345 D CB 0.255 41.084 40.800 0.049 0.000 1.090 345 D HN 0.248 nan 8.370 nan 0.000 0.519 346 K N 0.703 121.123 120.400 0.033 0.000 2.286 346 K HA -0.170 4.150 4.320 -0.000 0.000 0.203 346 K C 1.536 178.234 176.600 0.163 0.000 1.045 346 K CA 1.222 57.542 56.287 0.056 0.000 0.935 346 K CB 0.340 32.851 32.500 0.019 0.000 0.737 346 K HN 0.124 nan 8.250 nan 0.000 0.460 347 E N 0.319 120.602 120.200 0.139 0.000 2.011 347 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 347 E C 1.898 178.610 176.600 0.186 0.000 0.980 347 E CA 0.822 57.307 56.400 0.141 0.000 0.814 347 E CB 0.081 29.836 29.700 0.092 0.000 0.775 347 E HN 0.361 nan 8.360 nan 0.000 0.454 348 R N 0.515 121.123 120.500 0.179 0.000 2.211 348 R HA -0.140 4.200 4.340 -0.000 0.000 0.240 348 R C 1.735 178.186 176.300 0.252 0.000 1.144 348 R CA 0.885 57.093 56.100 0.181 0.000 0.992 348 R CB -0.862 29.537 30.300 0.166 0.000 0.869 348 R HN 0.393 nan 8.270 nan 0.000 0.462 349 W N 2.842 124.193 121.300 0.084 0.000 2.571 349 W HA -0.098 4.562 4.660 -0.000 0.000 0.346 349 W C -0.455 176.116 176.519 0.087 0.000 1.005 349 W CA 0.843 58.247 57.345 0.098 0.000 2.096 349 W CB -0.485 29.031 29.460 0.094 0.000 0.798 349 W HN 0.397 nan 8.180 nan 0.000 0.576 350 E N 0.000 120.178 120.200 -0.037 0.000 2.725 350 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 350 E CA 0.000 56.319 56.400 -0.134 0.000 0.976 350 E CB 0.000 29.683 29.700 -0.028 0.000 0.812 350 E HN 0.000 nan 8.360 nan 0.000 0.440