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 3gok_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 0.000 175.924 175.800 0.206 0.000 0.967 46 F CA 0.000 58.085 58.000 0.142 0.000 1.383 46 F CB 0.000 39.046 39.000 0.077 0.000 1.145 47 H N 3.823 122.844 119.070 -0.082 0.000 2.724 47 H HA 0.592 5.147 4.556 -0.001 0.000 0.278 47 H C -0.395 174.903 175.328 -0.050 0.000 1.159 47 H CA -0.558 55.481 56.048 -0.015 0.000 1.254 47 H CB 0.887 30.630 29.762 -0.032 0.000 1.412 47 H HN 0.317 nan 8.280 nan 0.000 0.488 48 V N 0.625 120.631 119.914 0.154 0.000 2.612 48 V HA 0.607 4.727 4.120 -0.001 0.000 0.301 48 V C -0.085 176.073 176.094 0.106 0.000 1.046 48 V CA -0.974 61.399 62.300 0.121 0.000 0.946 48 V CB 2.176 34.106 31.823 0.178 0.000 1.003 48 V HN 0.334 nan 8.190 nan 0.000 0.459 49 K N 2.238 122.696 120.400 0.097 0.000 2.259 49 K HA 0.518 4.838 4.320 -0.001 0.000 0.249 49 K C 0.051 176.733 176.600 0.136 0.000 0.942 49 K CA -0.281 56.059 56.287 0.088 0.000 0.816 49 K CB 2.108 34.636 32.500 0.047 0.000 1.155 49 K HN 1.072 nan 8.250 nan 0.000 0.428 50 S N 0.060 115.858 115.700 0.162 0.000 2.568 50 S HA 0.273 4.743 4.470 -0.001 0.000 0.282 50 S C 0.735 175.552 174.600 0.361 0.000 1.338 50 S CA -0.438 57.887 58.200 0.208 0.000 1.045 50 S CB 0.745 64.050 63.200 0.176 0.000 0.873 50 S HN 0.634 nan 8.310 nan 0.000 0.516 51 G N 0.577 109.526 108.800 0.247 0.000 2.535 51 G HA2 0.460 4.420 3.960 -0.001 0.000 0.282 51 G HA3 0.460 4.420 3.960 -0.001 0.000 0.282 51 G C -0.714 174.119 174.900 -0.112 0.000 1.350 51 G CA -0.879 44.359 45.100 0.230 0.000 1.039 51 G HN 0.762 nan 8.290 nan 0.000 0.509 52 L N -0.348 120.549 121.223 -0.543 0.000 2.265 52 L HA 0.469 4.809 4.340 -0.001 0.000 0.288 52 L C -0.059 176.494 176.870 -0.528 0.000 1.058 52 L CA -0.605 53.621 54.840 -1.024 0.000 0.809 52 L CB 1.378 42.690 42.059 -1.246 0.000 1.179 52 L HN 0.441 nan 8.230 nan 0.000 0.429 53 Q N 5.219 124.743 119.800 -0.459 0.000 2.368 53 Q HA 0.416 4.755 4.340 -0.001 0.000 0.256 53 Q C -1.038 174.771 176.000 -0.319 0.000 0.980 53 Q CA -0.223 55.402 55.803 -0.296 0.000 0.887 53 Q CB 0.648 29.260 28.738 -0.210 0.000 1.221 53 Q HN 0.615 nan 8.270 nan 0.000 0.458 54 I N 4.384 124.793 120.570 -0.268 0.000 2.379 54 I HA 0.150 4.319 4.170 -0.001 0.000 0.290 54 I C 0.422 176.396 176.117 -0.238 0.000 1.063 54 I CA -0.294 60.852 61.300 -0.257 0.000 1.351 54 I CB 0.532 38.421 38.000 -0.186 0.000 1.410 54 I HN 0.505 nan 8.210 nan 0.000 0.505 55 K N 6.197 126.388 120.400 -0.349 0.000 2.350 55 K HA 0.114 4.434 4.320 -0.001 0.000 0.279 55 K C 0.771 177.286 176.600 -0.143 0.000 1.027 55 K CA -0.374 55.716 56.287 -0.328 0.000 0.969 55 K CB 1.430 33.505 32.500 -0.709 0.000 0.954 55 K HN 0.405 nan 8.250 nan 0.000 0.474 56 K N 1.366 121.739 120.400 -0.044 0.000 2.348 56 K HA 0.001 4.320 4.320 -0.001 0.000 0.194 56 K C 0.660 177.311 176.600 0.084 0.000 1.052 56 K CA 0.248 56.548 56.287 0.021 0.000 1.004 56 K CB 0.022 32.520 32.500 -0.003 0.000 0.873 56 K HN 0.727 nan 8.250 nan 0.000 0.523 57 N N 1.534 120.300 118.700 0.110 0.000 2.371 57 N HA 0.023 4.762 4.740 -0.001 0.000 0.243 57 N C -0.209 175.402 175.510 0.168 0.000 1.287 57 N CA 0.009 53.132 53.050 0.122 0.000 0.911 57 N CB 0.646 39.200 38.487 0.110 0.000 1.142 57 N HN -0.127 nan 8.380 nan 0.000 0.451 58 A N 1.038 123.911 122.820 0.089 0.000 2.511 58 A HA 0.074 4.393 4.320 -0.001 0.000 0.242 58 A C 1.499 179.063 177.584 -0.034 0.000 1.069 58 A CA -0.511 51.548 52.037 0.037 0.000 0.763 58 A CB -0.303 18.709 19.000 0.020 0.000 1.001 58 A HN 0.855 nan 8.150 nan 0.000 0.498 59 I N 2.627 123.081 120.570 -0.193 0.000 2.394 59 I HA -0.203 3.967 4.170 -0.001 0.000 0.251 59 I C 1.932 177.942 176.117 -0.180 0.000 1.136 59 I CA 1.758 62.762 61.300 -0.494 0.000 1.425 59 I CB -0.074 37.509 38.000 -0.694 0.000 1.079 59 I HN 0.833 nan 8.210 nan 0.000 0.425 60 I N -2.089 118.428 120.570 -0.088 0.000 2.916 60 I HA -0.173 3.997 4.170 -0.001 0.000 0.267 60 I C 1.387 177.498 176.117 -0.010 0.000 1.263 60 I CA 0.977 62.264 61.300 -0.022 0.000 1.471 60 I CB -0.727 37.267 38.000 -0.009 0.000 1.089 60 I HN 0.082 nan 8.210 nan 0.000 0.468 61 D N 1.928 122.318 120.400 -0.016 0.000 2.144 61 D HA -0.139 4.500 4.640 -0.001 0.000 0.200 61 D C 1.591 177.867 176.300 -0.041 0.000 0.978 61 D CA 1.299 55.292 54.000 -0.011 0.000 0.833 61 D CB -0.094 40.714 40.800 0.012 0.000 0.961 61 D HN 0.509 nan 8.370 nan 0.000 0.470 62 D N -1.698 118.659 120.400 -0.071 0.000 2.422 62 D HA 0.037 4.676 4.640 -0.001 0.000 0.218 62 D C -0.057 175.969 176.300 -0.456 0.000 1.047 62 D CA 0.290 54.145 54.000 -0.241 0.000 0.885 62 D CB 0.664 41.333 40.800 -0.218 0.000 1.035 62 D HN 0.224 nan 8.370 nan 0.000 0.502 63 Y N 0.299 120.564 120.300 -0.059 0.000 2.512 63 Y HA 0.339 4.888 4.550 -0.001 0.000 0.348 63 Y C 0.123 176.030 175.900 0.012 0.000 0.990 63 Y CA -1.168 56.922 58.100 -0.017 0.000 1.033 63 Y CB 1.893 40.306 38.460 -0.079 0.000 1.259 63 Y HN -0.446 nan 8.280 nan 0.000 0.461 64 K N 1.717 122.264 120.400 0.246 0.000 2.248 64 K HA 0.582 4.901 4.320 -0.001 0.000 0.281 64 K C -1.572 175.159 176.600 0.218 0.000 1.054 64 K CA -0.385 56.024 56.287 0.203 0.000 0.903 64 K CB 0.667 33.299 32.500 0.220 0.000 1.077 64 K HN 0.517 nan 8.250 nan 0.000 0.474 65 V N 5.349 125.337 119.914 0.124 0.000 2.318 65 V HA 0.117 4.237 4.120 -0.001 0.000 0.271 65 V C 0.590 176.736 176.094 0.086 0.000 1.030 65 V CA -0.683 61.659 62.300 0.070 0.000 0.844 65 V CB 0.527 32.344 31.823 -0.009 0.000 1.015 65 V HN 1.002 nan 8.190 nan 0.000 0.460 66 T N 1.704 116.331 114.554 0.122 0.000 2.754 66 T HA 0.214 4.564 4.350 -0.001 0.000 0.286 66 T C 0.899 175.631 174.700 0.055 0.000 0.997 66 T CA 0.135 62.306 62.100 0.118 0.000 0.982 66 T CB 1.368 70.354 68.868 0.197 0.000 1.027 66 T HN 0.746 nan 8.240 nan 0.000 0.529 67 S N -0.535 115.198 115.700 0.054 0.000 2.651 67 S HA 0.189 4.659 4.470 -0.001 0.000 0.246 67 S C 0.349 174.971 174.600 0.036 0.000 1.039 67 S CA -0.691 57.529 58.200 0.033 0.000 1.013 67 S CB -0.376 62.844 63.200 0.033 0.000 0.861 67 S HN 0.842 nan 8.310 nan 0.000 0.485 68 Q N 2.093 121.920 119.800 0.044 0.000 2.286 68 Q HA 0.248 4.588 4.340 -0.001 0.000 0.265 68 Q C -0.793 175.220 176.000 0.022 0.000 1.080 68 Q CA -0.193 55.634 55.803 0.040 0.000 0.906 68 Q CB 0.617 29.389 28.738 0.056 0.000 1.227 68 Q HN 0.348 nan 8.270 nan 0.000 0.409 69 V N 6.950 126.878 119.914 0.024 0.000 2.479 69 V HA -0.062 4.058 4.120 -0.001 0.000 0.281 69 V C 1.099 177.206 176.094 0.022 0.000 1.031 69 V CA 0.519 62.831 62.300 0.021 0.000 1.038 69 V CB 0.766 32.605 31.823 0.026 0.000 0.981 69 V HN 0.869 nan 8.190 nan 0.000 0.478 70 L N 4.400 125.632 121.223 0.016 0.000 2.616 70 L HA 0.507 4.846 4.340 -0.001 0.000 0.229 70 L C 0.903 177.791 176.870 0.031 0.000 1.110 70 L CA 0.544 55.395 54.840 0.019 0.000 0.884 70 L CB 0.300 42.362 42.059 0.006 0.000 1.115 70 L HN 0.863 nan 8.230 nan 0.000 0.481 71 G N -0.131 108.689 108.800 0.033 0.000 2.361 71 G HA2 0.347 4.307 3.960 -0.001 0.000 0.299 71 G HA3 0.347 4.307 3.960 -0.001 0.000 0.299 71 G C -2.099 172.826 174.900 0.041 0.000 1.544 71 G CA -0.770 44.355 45.100 0.041 0.000 0.860 71 G HN -0.175 nan 8.290 nan 0.000 0.610 72 L N 1.577 122.827 121.223 0.044 0.000 2.280 72 L HA 0.676 5.015 4.340 -0.001 0.000 0.287 72 L C 1.120 178.025 176.870 0.058 0.000 1.023 72 L CA 0.114 54.982 54.840 0.047 0.000 0.819 72 L CB 1.530 43.614 42.059 0.042 0.000 1.212 72 L HN 0.886 nan 8.230 nan 0.000 0.420 73 G N 1.946 110.786 108.800 0.067 0.000 2.547 73 G HA2 0.368 4.328 3.960 -0.001 0.000 0.291 73 G HA3 0.368 4.328 3.960 -0.001 0.000 0.291 73 G C 0.959 175.917 174.900 0.096 0.000 1.211 73 G CA -0.302 44.850 45.100 0.087 0.000 0.950 73 G HN 0.752 nan 8.290 nan 0.000 0.504 74 I N -1.706 118.943 120.570 0.131 0.000 2.394 74 I HA 0.000 4.170 4.170 -0.001 0.000 0.251 74 I C 0.824 177.003 176.117 0.103 0.000 1.136 74 I CA 1.199 62.600 61.300 0.169 0.000 1.425 74 I CB -0.214 37.995 38.000 0.348 0.000 1.079 74 I HN 0.534 nan 8.210 nan 0.000 0.425 75 N N 0.400 119.145 118.700 0.075 0.000 2.733 75 N HA 0.539 5.278 4.740 -0.001 0.000 0.271 75 N C -0.173 175.365 175.510 0.047 0.000 1.720 75 N CA -0.192 52.885 53.050 0.045 0.000 0.803 75 N CB 0.934 39.430 38.487 0.015 0.000 1.208 75 N HN 0.512 nan 8.380 nan 0.000 0.498 76 G N 1.726 110.556 108.800 0.049 0.000 2.627 76 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.680 76 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.680 76 G C -1.069 173.857 174.900 0.043 0.000 1.341 76 G CA -1.178 43.947 45.100 0.042 0.000 0.835 76 G HN 0.509 nan 8.290 nan 0.000 0.643 77 K N -0.171 120.249 120.400 0.033 0.000 2.102 77 K HA 0.773 5.093 4.320 -0.001 0.000 0.244 77 K C -0.206 176.406 176.600 0.020 0.000 1.021 77 K CA -0.909 55.397 56.287 0.030 0.000 0.913 77 K CB 1.688 34.205 32.500 0.027 0.000 1.062 77 K HN 0.432 nan 8.250 nan 0.000 0.485 78 V N 2.309 122.236 119.914 0.021 0.000 2.417 78 V HA 0.351 4.471 4.120 -0.001 0.000 0.291 78 V C -0.334 175.757 176.094 -0.004 0.000 1.024 78 V CA -0.854 61.453 62.300 0.011 0.000 0.861 78 V CB 0.941 32.782 31.823 0.030 0.000 0.985 78 V HN 0.578 nan 8.190 nan 0.000 0.436 79 L N 3.152 124.358 121.223 -0.027 0.000 2.319 79 L HA 0.621 4.961 4.340 -0.001 0.000 0.267 79 L C -0.267 176.564 176.870 -0.064 0.000 1.011 79 L CA -0.872 53.946 54.840 -0.037 0.000 0.818 79 L CB 1.909 43.941 42.059 -0.044 0.000 1.316 79 L HN 0.573 nan 8.230 nan 0.000 0.432 80 Q N 2.711 122.466 119.800 -0.075 0.000 2.286 80 Q HA 0.604 4.944 4.340 -0.001 0.000 0.257 80 Q C -0.978 174.886 176.000 -0.227 0.000 0.941 80 Q CA -0.003 55.701 55.803 -0.165 0.000 0.912 80 Q CB 0.985 29.637 28.738 -0.143 0.000 1.192 80 Q HN 0.492 nan 8.270 nan 0.000 0.410 81 I N -0.558 119.809 120.570 -0.339 0.000 3.074 81 I HA 0.696 4.865 4.170 -0.001 0.000 0.310 81 I C -1.420 174.479 176.117 -0.364 0.000 1.153 81 I CA -1.270 59.889 61.300 -0.234 0.000 0.993 81 I CB 1.944 39.895 38.000 -0.082 0.000 1.237 81 I HN 0.467 nan 8.210 nan 0.000 0.443 82 F N 1.350 121.453 119.950 0.256 0.000 2.540 82 F HA 0.404 4.931 4.527 -0.001 0.000 0.317 82 F C 0.143 176.146 175.800 0.338 0.000 1.104 82 F CA -0.574 57.594 58.000 0.280 0.000 0.913 82 F CB 1.794 40.880 39.000 0.143 0.000 1.170 82 F HN 0.554 nan 8.300 nan 0.000 0.450 83 N N 2.871 121.894 118.700 0.539 0.000 2.438 83 N HA 0.017 4.757 4.740 -0.001 0.000 0.267 83 N C 1.101 176.666 175.510 0.092 0.000 1.222 83 N CA 0.062 53.221 53.050 0.181 0.000 0.930 83 N CB 0.670 39.316 38.487 0.265 0.000 1.083 83 N HN 0.620 nan 8.380 nan 0.000 0.476 84 K N 2.496 122.872 120.400 -0.041 0.000 2.044 84 K HA -0.193 4.127 4.320 -0.001 0.000 0.210 84 K C 1.781 178.374 176.600 -0.011 0.000 1.049 84 K CA 1.245 57.527 56.287 -0.009 0.000 0.927 84 K CB 0.063 32.537 32.500 -0.043 0.000 0.713 84 K HN 0.553 nan 8.250 nan 0.000 0.443 85 R N -0.455 120.019 120.500 -0.043 0.000 2.062 85 R HA -0.070 4.269 4.340 -0.001 0.000 0.229 85 R C 2.094 178.403 176.300 0.015 0.000 1.128 85 R CA 1.452 57.540 56.100 -0.020 0.000 0.960 85 R CB -0.204 30.074 30.300 -0.037 0.000 0.855 85 R HN 0.099 nan 8.270 nan 0.000 0.432 86 T N -0.352 114.228 114.554 0.043 0.000 3.065 86 T HA 0.003 4.353 4.350 -0.001 0.000 0.252 86 T C 0.342 175.103 174.700 0.101 0.000 1.099 86 T CA 0.221 62.368 62.100 0.080 0.000 1.063 86 T CB 0.241 69.179 68.868 0.116 0.000 0.948 86 T HN 0.215 nan 8.240 nan 0.000 0.506 87 Q N 0.075 119.947 119.800 0.121 0.000 2.261 87 Q HA -0.164 4.176 4.340 -0.001 0.000 0.155 87 Q C 0.180 176.318 176.000 0.230 0.000 0.598 87 Q CA 1.251 57.133 55.803 0.132 0.000 1.376 87 Q CB -1.328 27.442 28.738 0.054 0.000 1.356 87 Q HN 0.741 nan 8.270 nan 0.000 0.947 88 E N 1.705 122.037 120.200 0.220 0.000 2.418 88 E HA 0.118 4.468 4.350 -0.001 0.000 0.261 88 E C 0.153 176.833 176.600 0.132 0.000 1.070 88 E CA 0.114 56.597 56.400 0.138 0.000 0.931 88 E CB 0.520 30.267 29.700 0.078 0.000 0.954 88 E HN 0.173 nan 8.360 nan 0.000 0.439 89 K N 2.487 122.805 120.400 -0.137 0.000 2.143 89 K HA 0.432 4.752 4.320 -0.001 0.000 0.272 89 K C -0.929 175.290 176.600 -0.635 0.000 1.001 89 K CA -0.440 55.670 56.287 -0.294 0.000 0.915 89 K CB 1.003 33.365 32.500 -0.230 0.000 1.047 89 K HN 0.234 nan 8.250 nan 0.000 0.458 90 F N -0.221 119.632 119.950 -0.162 0.000 2.692 90 F HA 0.558 5.085 4.527 -0.001 0.000 0.320 90 F C -0.804 174.893 175.800 -0.172 0.000 1.123 90 F CA -1.153 56.782 58.000 -0.108 0.000 0.961 90 F CB 2.137 41.106 39.000 -0.051 0.000 1.383 90 F HN 0.705 nan 8.300 nan 0.000 0.483 91 A N 1.405 124.283 122.820 0.097 0.000 2.342 91 A HA 0.805 5.124 4.320 -0.001 0.000 0.323 91 A C -1.978 175.583 177.584 -0.039 0.000 1.125 91 A CA -0.588 51.448 52.037 -0.002 0.000 0.785 91 A CB 1.440 20.452 19.000 0.021 0.000 1.221 91 A HN 0.692 nan 8.150 nan 0.000 0.463 92 L N 1.739 122.917 121.223 -0.076 0.000 2.325 92 L HA 0.606 4.945 4.340 -0.001 0.000 0.281 92 L C -0.226 176.609 176.870 -0.059 0.000 1.004 92 L CA -0.250 54.526 54.840 -0.106 0.000 0.823 92 L CB 1.428 43.390 42.059 -0.163 0.000 1.236 92 L HN 0.683 nan 8.230 nan 0.000 0.415 93 K N 5.846 126.223 120.400 -0.038 0.000 2.206 93 K HA 0.518 4.838 4.320 -0.001 0.000 0.264 93 K C -1.196 175.390 176.600 -0.022 0.000 0.967 93 K CA -0.561 55.722 56.287 -0.007 0.000 0.844 93 K CB 1.133 33.656 32.500 0.039 0.000 1.099 93 K HN 0.713 nan 8.250 nan 0.000 0.441 94 M N 6.329 125.915 119.600 -0.023 0.000 2.101 94 M HA 0.330 4.809 4.480 -0.001 0.000 0.340 94 M C -1.160 175.141 176.300 0.001 0.000 1.057 94 M CA -0.675 54.603 55.300 -0.035 0.000 0.984 94 M CB 0.907 33.465 32.600 -0.070 0.000 1.560 94 M HN 0.471 nan 8.290 nan 0.000 0.435 95 L N 2.385 123.614 121.223 0.010 0.000 2.354 95 L HA 0.494 4.834 4.340 -0.001 0.000 0.269 95 L C -0.115 176.774 176.870 0.032 0.000 1.005 95 L CA -0.808 54.047 54.840 0.025 0.000 0.819 95 L CB 2.096 44.172 42.059 0.028 0.000 1.311 95 L HN 0.590 nan 8.230 nan 0.000 0.423 96 Q N 1.824 121.646 119.800 0.038 0.000 2.279 96 Q HA 0.072 4.412 4.340 -0.001 0.000 0.256 96 Q C -0.819 175.197 176.000 0.027 0.000 0.937 96 Q CA -0.627 55.202 55.803 0.043 0.000 0.933 96 Q CB 1.293 30.058 28.738 0.045 0.000 1.189 96 Q HN 0.446 nan 8.270 nan 0.000 0.417 97 D N 2.853 123.269 120.400 0.026 0.000 2.531 97 D HA 0.033 4.673 4.640 -0.001 0.000 0.239 97 D C -0.602 175.703 176.300 0.009 0.000 1.144 97 D CA 0.449 54.458 54.000 0.015 0.000 0.869 97 D CB 0.041 40.850 40.800 0.015 0.000 1.160 97 D HN 0.652 nan 8.370 nan 0.000 0.484 98 C N 2.572 121.874 119.300 0.003 0.000 3.216 98 C HA 0.410 4.869 4.460 -0.001 0.000 0.346 98 C C -1.958 173.028 174.990 -0.006 0.000 1.384 98 C CA -0.904 58.113 59.018 -0.003 0.000 1.208 98 C CB 0.944 28.681 27.740 -0.005 0.000 1.483 98 C HN 0.360 nan 8.230 nan 0.000 0.453 99 P HA -0.141 nan 4.420 nan 0.000 0.216 99 P C 1.404 178.697 177.300 -0.012 0.000 1.153 99 P CA 1.952 65.046 63.100 -0.010 0.000 0.858 99 P CB 0.026 31.718 31.700 -0.013 0.000 0.789 100 K N -0.173 120.216 120.400 -0.019 0.000 2.009 100 K HA -0.131 4.189 4.320 -0.001 0.000 0.210 100 K C 2.306 178.901 176.600 -0.009 0.000 1.049 100 K CA 1.824 58.095 56.287 -0.027 0.000 0.929 100 K CB -0.631 31.842 32.500 -0.045 0.000 0.714 100 K HN 0.035 nan 8.250 nan 0.000 0.440 101 A N 1.349 124.168 122.820 -0.001 0.000 1.930 101 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 101 A C 2.000 179.595 177.584 0.018 0.000 1.175 101 A CA 1.054 53.100 52.037 0.014 0.000 0.627 101 A CB -0.288 18.720 19.000 0.014 0.000 0.815 101 A HN 0.158 nan 8.150 nan 0.000 0.443 102 R N -0.461 120.044 120.500 0.008 0.000 2.105 102 R HA -0.105 4.235 4.340 -0.001 0.000 0.239 102 R C 2.285 178.596 176.300 0.018 0.000 1.135 102 R CA 1.494 57.597 56.100 0.005 0.000 0.967 102 R CB -0.584 29.714 30.300 -0.003 0.000 0.861 102 R HN 0.617 nan 8.270 nan 0.000 0.442 103 R N 0.864 121.377 120.500 0.023 0.000 2.062 103 R HA -0.116 4.223 4.340 -0.001 0.000 0.229 103 R C 2.110 178.452 176.300 0.070 0.000 1.128 103 R CA 1.448 57.571 56.100 0.038 0.000 0.960 103 R CB -0.090 30.225 30.300 0.026 0.000 0.855 103 R HN 0.275 nan 8.270 nan 0.000 0.432 104 E N -0.094 120.152 120.200 0.078 0.000 2.049 104 E HA -0.209 4.140 4.350 -0.001 0.000 0.198 104 E C 1.837 178.519 176.600 0.137 0.000 1.007 104 E CA 2.128 58.609 56.400 0.136 0.000 0.809 104 E CB -0.001 29.778 29.700 0.132 0.000 0.749 104 E HN 0.167 nan 8.360 nan 0.000 0.450 105 V N 1.471 121.437 119.914 0.087 0.000 2.287 105 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 105 V C 2.534 178.682 176.094 0.091 0.000 1.053 105 V CA 2.064 64.401 62.300 0.063 0.000 1.027 105 V CB -0.626 31.202 31.823 0.008 0.000 0.646 105 V HN 0.326 nan 8.190 nan 0.000 0.447 106 E N 0.142 120.387 120.200 0.076 0.000 2.051 106 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 106 E C 2.227 178.907 176.600 0.134 0.000 0.991 106 E CA 1.485 57.944 56.400 0.099 0.000 0.799 106 E CB -0.223 29.515 29.700 0.062 0.000 0.748 106 E HN 0.545 nan 8.360 nan 0.000 0.449 107 L N -0.562 120.720 121.223 0.098 0.000 2.056 107 L HA -0.179 4.160 4.340 -0.001 0.000 0.207 107 L C 2.673 179.489 176.870 -0.090 0.000 1.078 107 L CA 1.376 56.261 54.840 0.074 0.000 0.749 107 L CB -0.597 41.552 42.059 0.150 0.000 0.901 107 L HN 0.290 nan 8.230 nan 0.000 0.433 108 H N -0.800 118.049 119.070 -0.368 0.000 2.353 108 H HA -0.277 4.278 4.556 -0.001 0.000 0.300 108 H C 2.221 177.341 175.328 -0.347 0.000 1.090 108 H CA 1.661 57.215 56.048 -0.822 0.000 1.327 108 H CB -0.052 29.383 29.762 -0.545 0.000 1.383 108 H HN 0.446 nan 8.280 nan 0.000 0.508 109 W N 1.974 123.222 121.300 -0.086 0.000 2.338 109 W HA -0.222 4.437 4.660 -0.001 0.000 0.304 109 W C 2.089 178.601 176.519 -0.013 0.000 1.212 109 W CA 1.374 58.678 57.345 -0.068 0.000 1.264 109 W CB -0.251 29.169 29.460 -0.068 0.000 1.142 109 W HN 0.200 nan 8.180 nan 0.000 0.512 110 R N 0.478 120.958 120.500 -0.034 0.000 2.092 110 R HA -0.095 4.244 4.340 -0.001 0.000 0.231 110 R C 2.407 178.694 176.300 -0.022 0.000 1.119 110 R CA 1.958 58.030 56.100 -0.046 0.000 0.970 110 R CB -0.596 29.744 30.300 0.067 0.000 0.864 110 R HN 0.114 nan 8.270 nan 0.000 0.440 111 A N -1.179 121.628 122.820 -0.021 0.000 2.238 111 A HA 0.049 4.369 4.320 -0.001 0.000 0.210 111 A C 1.787 179.366 177.584 -0.009 0.000 1.179 111 A CA 0.634 52.754 52.037 0.137 0.000 0.827 111 A CB -0.093 18.976 19.000 0.115 0.000 0.856 111 A HN 0.295 nan 8.150 nan 0.000 0.488 112 S N -0.256 115.349 115.700 -0.160 0.000 2.423 112 S HA -0.181 4.289 4.470 -0.001 0.000 0.231 112 S C 1.960 176.413 174.600 -0.245 0.000 1.014 112 S CA 1.392 59.487 58.200 -0.176 0.000 0.965 112 S CB -0.356 62.657 63.200 -0.311 0.000 0.785 112 S HN 0.693 nan 8.310 nan 0.000 0.495 113 Q N 0.148 119.765 119.800 -0.306 0.000 2.112 113 Q HA -0.118 4.222 4.340 -0.001 0.000 0.206 113 Q C 1.440 177.228 176.000 -0.353 0.000 0.987 113 Q CA 0.971 56.598 55.803 -0.292 0.000 0.858 113 Q CB -0.715 27.891 28.738 -0.219 0.000 0.905 113 Q HN 0.650 nan 8.270 nan 0.000 0.420 114 C N 2.434 121.396 119.300 -0.562 0.000 2.538 114 C HA -0.009 4.451 4.460 -0.001 0.000 0.408 114 C C -1.081 173.745 174.990 -0.272 0.000 1.421 114 C CA -1.347 57.315 59.018 -0.593 0.000 1.642 114 C CB 0.321 27.652 27.740 -0.682 0.000 2.553 114 C HN 0.318 nan 8.230 nan 0.000 0.604 115 P HA -0.086 nan 4.420 nan 0.000 0.222 115 P C 0.711 177.808 177.300 -0.337 0.000 1.147 115 P CA 1.585 64.524 63.100 -0.268 0.000 0.790 115 P CB -0.138 31.376 31.700 -0.309 0.000 0.780 116 H N -1.627 117.395 119.070 -0.080 0.000 2.487 116 H HA 0.340 4.895 4.556 -0.001 0.000 0.290 116 H C 0.421 175.732 175.328 -0.029 0.000 1.081 116 H CA -0.142 55.874 56.048 -0.053 0.000 1.116 116 H CB 0.311 30.043 29.762 -0.050 0.000 1.560 116 H HN 0.205 nan 8.280 nan 0.000 0.548 117 I N 0.831 121.435 120.570 0.056 0.000 2.498 117 I HA 0.065 4.234 4.170 -0.001 0.000 0.290 117 I C 0.132 176.314 176.117 0.108 0.000 1.032 117 I CA -0.919 60.447 61.300 0.110 0.000 1.073 117 I CB 3.252 41.346 38.000 0.157 0.000 1.251 117 I HN -0.179 nan 8.210 nan 0.000 0.426 118 V N 7.281 127.296 119.914 0.169 0.000 2.584 118 V HA -0.003 4.116 4.120 -0.001 0.000 0.303 118 V C 0.549 176.782 176.094 0.231 0.000 1.035 118 V CA 0.386 62.800 62.300 0.190 0.000 1.172 118 V CB 0.379 32.337 31.823 0.224 0.000 0.896 118 V HN 0.729 nan 8.190 nan 0.000 0.486 119 R N 5.857 126.429 120.500 0.120 0.000 2.298 119 R HA 0.401 4.740 4.340 -0.001 0.000 0.310 119 R C -0.251 176.085 176.300 0.060 0.000 1.068 119 R CA -0.517 55.623 56.100 0.066 0.000 0.957 119 R CB 0.561 30.881 30.300 0.033 0.000 1.003 119 R HN 0.802 nan 8.270 nan 0.000 0.454 120 I N 5.056 125.627 120.570 0.001 0.000 2.416 120 I HA -0.033 4.136 4.170 -0.001 0.000 0.288 120 I C 1.128 177.308 176.117 0.105 0.000 1.051 120 I CA -0.205 61.094 61.300 -0.002 0.000 1.375 120 I CB 1.689 39.684 38.000 -0.008 0.000 1.407 120 I HN 0.573 nan 8.210 nan 0.000 0.516 121 V N 4.859 124.811 119.914 0.063 0.000 2.500 121 V HA 0.059 4.178 4.120 -0.001 0.000 0.243 121 V C 0.203 176.316 176.094 0.031 0.000 1.039 121 V CA 1.366 63.697 62.300 0.052 0.000 1.053 121 V CB -0.324 31.473 31.823 -0.044 0.000 0.695 121 V HN 0.744 nan 8.190 nan 0.000 0.463 122 D N -2.113 118.276 120.400 -0.019 0.000 2.663 122 D HA 0.438 5.077 4.640 -0.001 0.000 0.233 122 D C -1.506 174.716 176.300 -0.129 0.000 1.240 122 D CA -0.100 53.837 54.000 -0.106 0.000 0.774 122 D CB 2.984 43.743 40.800 -0.068 0.000 1.443 122 D HN -0.140 nan 8.370 nan 0.000 0.441 123 V N 2.140 121.897 119.914 -0.260 0.000 2.483 123 V HA 0.427 4.547 4.120 -0.001 0.000 0.297 123 V C -0.984 174.934 176.094 -0.294 0.000 1.027 123 V CA -0.669 61.517 62.300 -0.189 0.000 0.855 123 V CB 1.179 32.885 31.823 -0.195 0.000 0.995 123 V HN 0.415 nan 8.190 nan 0.000 0.424 124 Y N 1.958 122.202 120.300 -0.093 0.000 2.361 124 Y HA 0.518 5.068 4.550 -0.001 0.000 0.332 124 Y C 0.474 176.340 175.900 -0.058 0.000 1.101 124 Y CA -0.563 57.497 58.100 -0.067 0.000 1.137 124 Y CB 1.641 40.068 38.460 -0.055 0.000 1.207 124 Y HN 0.612 nan 8.280 nan 0.000 0.463 125 E N 3.453 123.705 120.200 0.087 0.000 2.145 125 E HA 0.353 4.702 4.350 -0.001 0.000 0.262 125 E C -1.416 175.229 176.600 0.075 0.000 0.883 125 E CA -0.288 56.143 56.400 0.052 0.000 0.748 125 E CB 0.475 30.177 29.700 0.003 0.000 1.140 125 E HN 0.843 nan 8.360 nan 0.000 0.417 126 N N 3.240 121.984 118.700 0.073 0.000 2.509 126 N HA 0.447 5.186 4.740 -0.001 0.000 0.280 126 N C -1.140 174.416 175.510 0.076 0.000 1.306 126 N CA -0.811 52.282 53.050 0.073 0.000 0.782 126 N CB 1.634 40.157 38.487 0.061 0.000 1.493 126 N HN 0.269 nan 8.380 nan 0.000 0.498 127 L N 2.224 123.497 121.223 0.083 0.000 2.265 127 L HA 0.346 4.686 4.340 -0.001 0.000 0.289 127 L C -1.346 175.622 176.870 0.162 0.000 1.033 127 L CA -0.486 54.410 54.840 0.094 0.000 0.814 127 L CB 0.357 42.452 42.059 0.059 0.000 1.203 127 L HN 0.519 nan 8.230 nan 0.000 0.423 128 Y N 3.937 124.239 120.300 0.004 0.000 2.338 128 Y HA 0.515 5.064 4.550 -0.001 0.000 0.328 128 Y C 0.442 176.343 175.900 0.002 0.000 0.965 128 Y CA -1.071 57.030 58.100 0.002 0.000 1.208 128 Y CB 1.485 39.946 38.460 0.001 0.000 1.132 128 Y HN 0.688 nan 8.280 nan 0.000 0.469 129 A N 4.213 126.834 122.820 -0.331 0.000 2.519 129 A HA 0.007 4.326 4.320 -0.001 0.000 0.297 129 A C 1.573 179.068 177.584 -0.148 0.000 1.472 129 A CA 1.464 53.312 52.037 -0.316 0.000 0.739 129 A CB -2.057 16.631 19.000 -0.520 0.000 1.096 129 A HN 2.448 nan 8.150 nan 0.000 0.414 130 G N -1.399 107.360 108.800 -0.068 0.000 2.244 130 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.274 130 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.274 130 G C 0.243 175.132 174.900 -0.018 0.000 1.002 130 G CA 1.334 46.414 45.100 -0.032 0.000 0.740 130 G HN 1.251 nan 8.290 nan 0.000 0.516 131 R N -0.589 119.906 120.500 -0.008 0.000 2.750 131 R HA 0.442 4.782 4.340 -0.001 0.000 0.281 131 R C 0.269 176.598 176.300 0.048 0.000 0.972 131 R CA -0.970 55.139 56.100 0.015 0.000 0.912 131 R CB 1.404 31.709 30.300 0.008 0.000 1.187 131 R HN 0.149 nan 8.270 nan 0.000 0.464 132 K N 0.855 121.279 120.400 0.040 0.000 2.319 132 K HA 0.176 4.496 4.320 -0.001 0.000 0.265 132 K C -0.722 175.914 176.600 0.059 0.000 1.000 132 K CA 0.204 56.518 56.287 0.045 0.000 0.943 132 K CB 0.618 33.134 32.500 0.027 0.000 0.950 132 K HN 0.437 nan 8.250 nan 0.000 0.485 133 C N 2.959 122.294 119.300 0.058 0.000 2.701 133 C HA 0.309 4.768 4.460 -0.001 0.000 0.336 133 C C -1.244 173.767 174.990 0.035 0.000 1.123 133 C CA -1.058 57.994 59.018 0.055 0.000 1.326 133 C CB 0.939 28.722 27.740 0.072 0.000 1.833 133 C HN 0.540 nan 8.230 nan 0.000 0.473 134 L N 4.449 125.686 121.223 0.023 0.000 2.265 134 L HA 0.567 4.906 4.340 -0.001 0.000 0.288 134 L C -0.214 176.663 176.870 0.012 0.000 1.058 134 L CA 0.207 55.056 54.840 0.015 0.000 0.809 134 L CB 0.792 42.853 42.059 0.004 0.000 1.179 134 L HN 0.556 nan 8.230 nan 0.000 0.429 135 L N 5.584 126.823 121.223 0.028 0.000 2.305 135 L HA 0.549 4.889 4.340 -0.001 0.000 0.284 135 L C -0.189 176.693 176.870 0.021 0.000 1.013 135 L CA -0.353 54.490 54.840 0.005 0.000 0.819 135 L CB 1.747 43.791 42.059 -0.025 0.000 1.227 135 L HN 0.403 nan 8.230 nan 0.000 0.417 136 I N 3.814 124.373 120.570 -0.018 0.000 2.321 136 I HA 0.317 4.486 4.170 -0.001 0.000 0.291 136 I C -0.280 175.798 176.117 -0.064 0.000 0.998 136 I CA -0.784 60.495 61.300 -0.035 0.000 1.227 136 I CB 1.931 39.905 38.000 -0.044 0.000 1.368 136 I HN 0.221 nan 8.210 nan 0.000 0.466 137 V N 7.622 127.489 119.914 -0.078 0.000 2.350 137 V HA 0.444 4.563 4.120 -0.001 0.000 0.276 137 V C 0.257 176.312 176.094 -0.066 0.000 1.028 137 V CA -0.406 61.804 62.300 -0.149 0.000 0.860 137 V CB 1.108 32.752 31.823 -0.300 0.000 0.990 137 V HN 0.698 nan 8.190 nan 0.000 0.453 138 M N 2.777 122.382 119.600 0.007 0.000 2.644 138 M HA 0.685 5.164 4.480 -0.001 0.000 0.304 138 M C -0.090 176.344 176.300 0.224 0.000 1.215 138 M CA -0.861 54.491 55.300 0.087 0.000 0.871 138 M CB 1.934 34.575 32.600 0.069 0.000 1.740 138 M HN 0.719 nan 8.290 nan 0.000 0.464 139 E N 0.406 120.754 120.200 0.247 0.000 2.492 139 E HA 0.028 4.378 4.350 -0.001 0.000 0.266 139 E C -1.070 175.591 176.600 0.102 0.000 1.047 139 E CA -0.402 56.137 56.400 0.231 0.000 0.968 139 E CB 0.648 30.433 29.700 0.142 0.000 0.960 139 E HN 0.673 nan 8.360 nan 0.000 0.452 140 C N 4.396 123.684 119.300 -0.019 0.000 2.325 140 C HA 0.298 4.757 4.460 -0.001 0.000 0.347 140 C C 0.251 175.230 174.990 -0.019 0.000 1.263 140 C CA -0.600 58.389 59.018 -0.049 0.000 1.806 140 C CB -1.260 26.389 27.740 -0.152 0.000 2.405 140 C HN 0.678 nan 8.230 nan 0.000 0.537 141 L N 6.316 127.546 121.223 0.012 0.000 2.556 141 L HA 0.266 4.605 4.340 -0.001 0.000 0.245 141 L C 0.644 177.536 176.870 0.037 0.000 1.174 141 L CA -0.054 54.805 54.840 0.033 0.000 1.117 141 L CB -0.017 42.069 42.059 0.044 0.000 1.409 141 L HN 0.760 nan 8.230 nan 0.000 0.411 142 D N -1.048 119.366 120.400 0.024 0.000 2.340 142 D HA -0.045 4.595 4.640 -0.001 0.000 0.220 142 D C 1.805 178.131 176.300 0.043 0.000 1.039 142 D CA 0.198 54.213 54.000 0.025 0.000 0.866 142 D CB 0.325 41.128 40.800 0.005 0.000 0.913 142 D HN 0.348 nan 8.370 nan 0.000 0.523 143 G N -0.213 108.631 108.800 0.074 0.000 2.559 143 G HA2 0.306 4.265 3.960 -0.001 0.000 0.216 143 G HA3 0.306 4.265 3.960 -0.001 0.000 0.216 143 G C 1.003 175.974 174.900 0.117 0.000 1.126 143 G CA 0.061 45.219 45.100 0.096 0.000 0.778 143 G HN 0.737 nan 8.290 nan 0.000 0.543 144 G N -0.476 108.390 108.800 0.109 0.000 2.728 144 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.294 144 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.294 144 G C -0.302 174.672 174.900 0.123 0.000 1.342 144 G CA -0.339 44.821 45.100 0.100 0.000 0.866 144 G HN 0.468 nan 8.290 nan 0.000 0.534 145 E N -0.626 119.634 120.200 0.100 0.000 2.408 145 E HA 0.302 4.652 4.350 -0.001 0.000 0.259 145 E C 1.610 178.256 176.600 0.077 0.000 1.110 145 E CA -0.109 56.335 56.400 0.073 0.000 0.929 145 E CB 0.992 30.754 29.700 0.103 0.000 0.971 145 E HN 0.615 nan 8.360 nan 0.000 0.438 146 L N 1.384 122.562 121.223 -0.075 0.000 2.046 146 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 146 L C 1.568 178.345 176.870 -0.155 0.000 1.077 146 L CA 1.789 56.526 54.840 -0.171 0.000 0.747 146 L CB -0.218 41.525 42.059 -0.527 0.000 0.896 146 L HN 0.583 nan 8.230 nan 0.000 0.432 147 F N -1.220 118.786 119.950 0.094 0.000 2.780 147 F HA -0.000 4.526 4.527 -0.001 0.000 0.299 147 F C 2.249 178.059 175.800 0.017 0.000 1.146 147 F CA 0.453 58.482 58.000 0.047 0.000 1.428 147 F CB -0.167 38.911 39.000 0.129 0.000 1.115 147 F HN 0.049 nan 8.300 nan 0.000 0.583 148 S N -0.250 115.562 115.700 0.185 0.000 2.377 148 S HA -0.053 4.416 4.470 -0.001 0.000 0.223 148 S C 2.122 176.751 174.600 0.048 0.000 1.030 148 S CA 0.487 58.754 58.200 0.112 0.000 0.970 148 S CB -0.105 63.161 63.200 0.109 0.000 0.830 148 S HN 0.273 nan 8.310 nan 0.000 0.473 149 R N 0.841 121.366 120.500 0.042 0.000 2.092 149 R HA 0.040 4.380 4.340 -0.001 0.000 0.231 149 R C 1.977 178.229 176.300 -0.080 0.000 1.119 149 R CA 0.884 56.963 56.100 -0.034 0.000 0.970 149 R CB -0.490 29.760 30.300 -0.083 0.000 0.864 149 R HN 0.362 nan 8.270 nan 0.000 0.440 150 I N 0.818 121.333 120.570 -0.092 0.000 2.315 150 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 150 I C 2.289 178.308 176.117 -0.163 0.000 1.117 150 I CA 1.198 62.353 61.300 -0.240 0.000 1.404 150 I CB -1.113 36.699 38.000 -0.314 0.000 1.071 150 I HN 0.227 nan 8.210 nan 0.000 0.419 151 Q N 0.483 120.235 119.800 -0.081 0.000 2.500 151 Q HA -0.163 4.176 4.340 -0.001 0.000 0.213 151 Q C -0.461 175.504 176.000 -0.060 0.000 0.974 151 Q CA 0.782 56.540 55.803 -0.075 0.000 0.918 151 Q CB 0.105 28.814 28.738 -0.049 0.000 0.980 151 Q HN 0.390 nan 8.270 nan 0.000 0.505 152 D N 0.105 120.471 120.400 -0.057 0.000 2.683 152 D HA 0.265 4.905 4.640 -0.001 0.000 0.309 152 D C -0.550 175.724 176.300 -0.042 0.000 1.238 152 D CA -0.102 53.873 54.000 -0.042 0.000 0.936 152 D CB 0.660 41.440 40.800 -0.033 0.000 1.001 152 D HN 0.085 nan 8.370 nan 0.000 0.505 153 R N -0.787 119.690 120.500 -0.038 0.000 2.936 153 R HA 0.818 5.158 4.340 -0.001 0.000 0.095 153 R C 0.895 177.182 176.300 -0.022 0.000 0.565 153 R CA -0.421 55.663 56.100 -0.026 0.000 0.363 153 R CB 0.185 30.475 30.300 -0.016 0.000 0.398 153 R HN 0.182 nan 8.270 nan 0.000 0.321 154 G N 0.934 109.724 108.800 -0.016 0.000 2.472 154 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 154 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 154 G C -1.163 173.728 174.900 -0.015 0.000 2.125 154 G CA -0.054 45.034 45.100 -0.019 0.000 1.637 154 G HN 0.747 nan 8.290 nan 0.000 0.548 155 D N 2.816 123.207 120.400 -0.014 0.000 2.730 155 D HA 0.037 4.677 4.640 -0.001 0.000 0.225 155 D C 0.600 176.896 176.300 -0.006 0.000 1.107 155 D CA 1.237 55.230 54.000 -0.012 0.000 0.837 155 D CB 0.229 41.021 40.800 -0.013 0.000 1.171 155 D HN 0.779 nan 8.370 nan 0.000 0.498 156 Q N 0.911 120.708 119.800 -0.005 0.000 2.324 156 Q HA -0.259 4.080 4.340 -0.001 0.000 0.328 156 Q C -0.117 175.898 176.000 0.024 0.000 1.193 156 Q CA 0.878 56.683 55.803 0.003 0.000 1.059 156 Q CB -1.031 27.708 28.738 0.001 0.000 1.179 156 Q HN 0.750 nan 8.270 nan 0.000 0.294 157 A N 3.285 126.118 122.820 0.022 0.000 2.698 157 A HA -0.122 4.197 4.320 -0.001 0.000 0.232 157 A C 0.052 177.712 177.584 0.126 0.000 1.437 157 A CA 0.800 52.868 52.037 0.052 0.000 1.345 157 A CB 0.051 19.057 19.000 0.010 0.000 1.102 157 A HN 0.662 nan 8.150 nan 0.000 0.524 158 F N 0.851 120.780 119.950 -0.036 0.000 2.410 158 F HA 0.489 5.016 4.527 -0.001 0.000 0.348 158 F C 1.084 176.871 175.800 -0.023 0.000 1.106 158 F CA 0.337 58.323 58.000 -0.023 0.000 1.163 158 F CB 1.077 40.068 39.000 -0.014 0.000 1.129 158 F HN 0.817 nan 8.300 nan 0.000 0.516 159 T N 1.020 115.281 114.554 -0.488 0.000 2.940 159 T HA 0.225 4.574 4.350 -0.001 0.000 0.288 159 T C 0.744 175.147 174.700 -0.496 0.000 1.033 159 T CA -0.763 61.111 62.100 -0.376 0.000 1.033 159 T CB 1.752 70.493 68.868 -0.211 0.000 1.079 159 T HN 0.815 nan 8.240 nan 0.000 0.496 160 E N 0.485 120.531 120.200 -0.257 0.000 2.171 160 E HA -0.239 4.111 4.350 -0.001 0.000 0.197 160 E C 2.137 178.639 176.600 -0.163 0.000 0.997 160 E CA 1.059 57.385 56.400 -0.123 0.000 0.810 160 E CB -0.001 29.715 29.700 0.028 0.000 0.738 160 E HN 0.695 nan 8.360 nan 0.000 0.467 161 R N 0.520 120.892 120.500 -0.213 0.000 2.092 161 R HA -0.149 4.191 4.340 -0.001 0.000 0.231 161 R C 1.884 178.011 176.300 -0.289 0.000 1.119 161 R CA 1.732 57.678 56.100 -0.256 0.000 0.970 161 R CB 0.015 30.201 30.300 -0.189 0.000 0.864 161 R HN 0.186 nan 8.270 nan 0.000 0.440 162 E N -0.080 119.936 120.200 -0.307 0.000 2.152 162 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 162 E C 1.931 178.421 176.600 -0.183 0.000 0.983 162 E CA 0.952 57.211 56.400 -0.234 0.000 0.818 162 E CB -0.035 29.530 29.700 -0.225 0.000 0.758 162 E HN 0.470 nan 8.360 nan 0.000 0.467 163 A N 0.970 123.603 122.820 -0.311 0.000 1.902 163 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 163 A C 2.254 179.821 177.584 -0.028 0.000 1.181 163 A CA 1.784 53.819 52.037 -0.002 0.000 0.623 163 A CB -0.651 18.395 19.000 0.077 0.000 0.818 163 A HN 0.241 nan 8.150 nan 0.000 0.443 164 S N -0.522 114.942 115.700 -0.393 0.000 2.382 164 S HA -0.210 4.260 4.470 -0.001 0.000 0.228 164 S C 1.852 176.202 174.600 -0.417 0.000 1.027 164 S CA 1.791 59.457 58.200 -0.890 0.000 0.991 164 S CB -0.332 62.037 63.200 -1.385 0.000 0.823 164 S HN 0.651 nan 8.310 nan 0.000 0.469 165 E N 0.233 120.280 120.200 -0.255 0.000 2.106 165 E HA -0.004 4.345 4.350 -0.001 0.000 0.192 165 E C 1.958 178.529 176.600 -0.049 0.000 0.984 165 E CA 1.256 57.576 56.400 -0.132 0.000 0.806 165 E CB -0.139 29.510 29.700 -0.084 0.000 0.750 165 E HN 0.587 nan 8.360 nan 0.000 0.458 166 I N 0.301 120.876 120.570 0.008 0.000 2.163 166 I HA -0.254 3.915 4.170 -0.001 0.000 0.240 166 I C 2.202 178.335 176.117 0.028 0.000 1.081 166 I CA 0.685 62.016 61.300 0.052 0.000 1.353 166 I CB -0.146 37.937 38.000 0.139 0.000 1.054 166 I HN 0.184 nan 8.210 nan 0.000 0.407 167 M N 0.563 120.215 119.600 0.085 0.000 2.149 167 M HA -0.228 4.252 4.480 -0.001 0.000 0.261 167 M C 2.265 178.663 176.300 0.163 0.000 1.064 167 M CA 1.658 57.067 55.300 0.181 0.000 1.102 167 M CB -1.154 31.669 32.600 0.372 0.000 1.369 167 M HN 0.188 nan 8.290 nan 0.000 0.408 168 K N 0.222 120.646 120.400 0.039 0.000 2.057 168 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 168 K C 2.086 178.643 176.600 -0.071 0.000 1.049 168 K CA 1.902 58.193 56.287 0.006 0.000 0.931 168 K CB 0.001 32.456 32.500 -0.076 0.000 0.714 168 K HN 0.371 nan 8.250 nan 0.000 0.440 169 S N 0.194 115.795 115.700 -0.166 0.000 2.436 169 S HA -0.051 4.418 4.470 -0.001 0.000 0.228 169 S C 1.986 176.325 174.600 -0.435 0.000 1.014 169 S CA 0.651 58.565 58.200 -0.477 0.000 0.950 169 S CB -0.409 62.505 63.200 -0.476 0.000 0.784 169 S HN 0.339 nan 8.310 nan 0.000 0.504 170 I N 2.340 122.787 120.570 -0.204 0.000 2.202 170 I HA -0.039 4.130 4.170 -0.001 0.000 0.242 170 I C 2.964 178.994 176.117 -0.145 0.000 1.091 170 I CA 1.156 62.356 61.300 -0.167 0.000 1.368 170 I CB -1.126 36.799 38.000 -0.124 0.000 1.058 170 I HN 0.478 nan 8.210 nan 0.000 0.410 171 G N 0.449 109.217 108.800 -0.053 0.000 2.469 171 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.219 171 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.219 171 G C 1.523 176.408 174.900 -0.024 0.000 1.150 171 G CA 0.823 45.923 45.100 0.001 0.000 0.763 171 G HN 0.426 nan 8.290 nan 0.000 0.561 172 E N 0.407 120.572 120.200 -0.058 0.000 2.110 172 E HA -0.070 4.279 4.350 -0.001 0.000 0.193 172 E C 2.938 179.554 176.600 0.027 0.000 0.988 172 E CA 0.710 57.095 56.400 -0.025 0.000 0.804 172 E CB -0.169 29.475 29.700 -0.092 0.000 0.745 172 E HN 0.444 nan 8.360 nan 0.000 0.458 173 A N 1.496 124.300 122.820 -0.026 0.000 1.858 173 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 173 A C 2.123 179.730 177.584 0.038 0.000 1.190 173 A CA 1.093 53.158 52.037 0.048 0.000 0.617 173 A CB -0.435 18.567 19.000 0.003 0.000 0.827 173 A HN 0.112 nan 8.150 nan 0.000 0.443 174 I N 0.276 120.789 120.570 -0.095 0.000 2.264 174 I HA -0.280 3.889 4.170 -0.001 0.000 0.248 174 I C 2.653 178.619 176.117 -0.252 0.000 1.111 174 I CA 2.054 63.212 61.300 -0.236 0.000 1.382 174 I CB -1.556 36.206 38.000 -0.397 0.000 1.060 174 I HN 0.646 nan 8.210 nan 0.000 0.418 175 Q N 0.384 120.124 119.800 -0.101 0.000 2.096 175 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 175 Q C 2.472 178.528 176.000 0.092 0.000 0.982 175 Q CA 1.861 57.664 55.803 -0.000 0.000 0.850 175 Q CB -0.434 28.343 28.738 0.065 0.000 0.901 175 Q HN 0.502 nan 8.270 nan 0.000 0.422 176 Y N 0.621 120.936 120.300 0.025 0.000 2.133 176 Y HA -0.205 4.345 4.550 -0.001 0.000 0.287 176 Y C 1.806 177.763 175.900 0.095 0.000 1.134 176 Y CA 1.757 59.892 58.100 0.058 0.000 1.133 176 Y CB -0.242 38.254 38.460 0.060 0.000 0.987 176 Y HN 0.122 nan 8.280 nan 0.000 0.502 177 L N -0.666 120.668 121.223 0.185 0.000 1.990 177 L HA -0.355 3.985 4.340 -0.001 0.000 0.213 177 L C 2.549 179.526 176.870 0.179 0.000 1.072 177 L CA 2.069 57.022 54.840 0.189 0.000 0.755 177 L CB -0.953 41.278 42.059 0.287 0.000 0.889 177 L HN 0.404 nan 8.230 nan 0.000 0.432 178 H N -0.978 118.100 119.070 0.012 0.000 2.352 178 H HA -0.162 4.394 4.556 -0.001 0.000 0.299 178 H C 2.538 177.840 175.328 -0.044 0.000 1.097 178 H CA 1.402 57.450 56.048 -0.001 0.000 1.311 178 H CB 0.055 29.828 29.762 0.019 0.000 1.377 178 H HN 0.444 nan 8.280 nan 0.000 0.504 179 S N 1.346 117.071 115.700 0.042 0.000 2.447 179 S HA -0.087 4.383 4.470 -0.001 0.000 0.233 179 S C 1.750 176.273 174.600 -0.128 0.000 1.006 179 S CA 0.894 59.064 58.200 -0.050 0.000 0.957 179 S CB -0.608 62.546 63.200 -0.076 0.000 0.773 179 S HN 0.567 nan 8.310 nan 0.000 0.507 180 I N -1.912 118.543 120.570 -0.192 0.000 3.884 180 I HA 0.471 4.641 4.170 -0.001 0.000 0.330 180 I C -0.328 175.749 176.117 -0.067 0.000 1.451 180 I CA -0.579 60.619 61.300 -0.169 0.000 1.165 180 I CB -1.188 36.646 38.000 -0.278 0.000 1.097 180 I HN 0.043 nan 8.210 nan 0.000 0.404 181 N N 1.573 120.250 118.700 -0.038 0.000 2.758 181 N HA -0.134 4.605 4.740 -0.001 0.000 0.248 181 N C -0.887 174.624 175.510 0.002 0.000 1.076 181 N CA 0.693 53.728 53.050 -0.026 0.000 0.696 181 N CB -1.071 37.400 38.487 -0.028 0.000 0.979 181 N HN 0.561 nan 8.380 nan 0.000 0.550 182 I N 0.019 120.615 120.570 0.043 0.000 2.498 182 I HA 0.620 4.790 4.170 -0.001 0.000 0.290 182 I C 0.111 176.303 176.117 0.126 0.000 1.032 182 I CA -0.850 60.509 61.300 0.097 0.000 1.073 182 I CB 1.850 39.954 38.000 0.173 0.000 1.251 182 I HN 0.131 nan 8.210 nan 0.000 0.426 183 A N 3.835 126.705 122.820 0.083 0.000 2.301 183 A HA 0.364 4.684 4.320 -0.001 0.000 0.312 183 A C 0.314 177.983 177.584 0.143 0.000 1.182 183 A CA -0.241 51.861 52.037 0.109 0.000 0.826 183 A CB 0.416 19.435 19.000 0.031 0.000 1.134 183 A HN 0.930 nan 8.150 nan 0.000 0.501 184 H N 1.438 120.549 119.070 0.068 0.000 2.384 184 H HA 0.056 4.612 4.556 -0.001 0.000 0.300 184 H C 0.890 176.194 175.328 -0.040 0.000 1.057 184 H CA 1.574 57.581 56.048 -0.070 0.000 1.370 184 H CB 0.055 29.716 29.762 -0.168 0.000 1.417 184 H HN 0.772 nan 8.280 nan 0.000 0.527 185 R N -0.591 120.007 120.500 0.162 0.000 3.994 185 R HA -0.197 4.142 4.340 -0.001 0.000 0.403 185 R C -0.698 175.603 176.300 0.002 0.000 1.126 185 R CA 1.161 57.312 56.100 0.086 0.000 1.143 185 R CB -2.100 28.262 30.300 0.105 0.000 1.695 185 R HN 0.508 nan 8.270 nan 0.000 0.555 186 D N -0.158 120.358 120.400 0.193 0.000 3.118 186 D HA 0.133 4.772 4.640 -0.001 0.000 0.352 186 D C -0.855 175.515 176.300 0.117 0.000 1.498 186 D CA -0.122 53.893 54.000 0.025 0.000 0.759 186 D CB 0.752 41.451 40.800 -0.167 0.000 1.251 186 D HN -0.030 nan 8.370 nan 0.000 0.504 187 V N 2.925 122.841 119.914 0.003 0.000 2.352 187 V HA 0.241 4.361 4.120 -0.001 0.000 0.253 187 V C 0.485 176.528 176.094 -0.086 0.000 1.083 187 V CA 0.168 62.351 62.300 -0.196 0.000 0.993 187 V CB -0.125 31.553 31.823 -0.241 0.000 1.111 187 V HN 0.183 nan 8.190 nan 0.000 0.490 188 K N 4.401 124.759 120.400 -0.070 0.000 2.400 188 K HA 0.672 4.991 4.320 -0.001 0.000 0.246 188 K C -2.488 174.116 176.600 0.006 0.000 0.995 188 K CA -2.098 54.179 56.287 -0.017 0.000 0.840 188 K CB 1.474 33.959 32.500 -0.025 0.000 1.293 188 K HN -0.038 nan 8.250 nan 0.000 0.445 189 P HA -0.247 nan 4.420 nan 0.000 0.218 189 P C 0.305 177.649 177.300 0.072 0.000 1.154 189 P CA 1.643 64.850 63.100 0.178 0.000 0.872 189 P CB 0.098 32.059 31.700 0.435 0.000 0.790 190 E N -1.368 118.865 120.200 0.054 0.000 2.338 190 E HA -0.103 4.247 4.350 -0.001 0.000 0.197 190 E C 1.130 177.737 176.600 0.012 0.000 1.007 190 E CA 0.853 57.275 56.400 0.037 0.000 0.849 190 E CB -0.837 28.877 29.700 0.025 0.000 0.774 190 E HN 0.468 nan 8.360 nan 0.000 0.506 191 N N -0.259 118.432 118.700 -0.015 0.000 2.270 191 N HA 0.138 4.877 4.740 -0.001 0.000 0.198 191 N C -0.674 174.791 175.510 -0.075 0.000 1.117 191 N CA -0.100 52.934 53.050 -0.027 0.000 0.845 191 N CB 0.465 38.938 38.487 -0.023 0.000 0.980 191 N HN 0.014 nan 8.380 nan 0.000 0.486 192 L N 2.103 123.262 121.223 -0.106 0.000 2.295 192 L HA 0.483 4.823 4.340 -0.001 0.000 0.281 192 L C -0.879 175.875 176.870 -0.193 0.000 1.018 192 L CA -0.359 54.373 54.840 -0.180 0.000 0.841 192 L CB 0.977 42.888 42.059 -0.247 0.000 1.218 192 L HN -0.079 nan 8.230 nan 0.000 0.424 193 L N 2.060 123.177 121.223 -0.176 0.000 2.323 193 L HA 0.571 4.910 4.340 -0.001 0.000 0.265 193 L C -1.053 175.701 176.870 -0.194 0.000 1.012 193 L CA -0.954 53.815 54.840 -0.119 0.000 0.820 193 L CB 2.030 44.081 42.059 -0.014 0.000 1.334 193 L HN 0.255 nan 8.230 nan 0.000 0.427 194 Y N -0.664 119.630 120.300 -0.009 0.000 2.387 194 Y HA 0.171 4.721 4.550 -0.001 0.000 0.330 194 Y C 1.576 177.474 175.900 -0.003 0.000 1.133 194 Y CA -0.252 57.845 58.100 -0.005 0.000 1.152 194 Y CB 1.930 40.383 38.460 -0.012 0.000 1.215 194 Y HN 0.731 nan 8.280 nan 0.000 0.466 195 T N -2.190 112.477 114.554 0.188 0.000 2.746 195 T HA -0.019 4.330 4.350 -0.001 0.000 0.267 195 T C 0.564 175.305 174.700 0.068 0.000 1.039 195 T CA 1.248 63.402 62.100 0.090 0.000 1.142 195 T CB -0.284 68.619 68.868 0.057 0.000 0.866 195 T HN 0.538 nan 8.240 nan 0.000 0.444 196 S N -0.922 114.823 115.700 0.076 0.000 2.720 196 S HA 0.549 5.018 4.470 -0.001 0.000 0.287 196 S C 0.186 174.786 174.600 0.001 0.000 1.168 196 S CA -1.185 57.032 58.200 0.028 0.000 0.832 196 S CB 2.089 65.293 63.200 0.007 0.000 1.166 196 S HN 0.059 nan 8.310 nan 0.000 0.493 197 K N -0.097 120.291 120.400 -0.021 0.000 2.314 197 K HA 0.158 4.477 4.320 -0.001 0.000 0.198 197 K C 0.122 176.676 176.600 -0.077 0.000 1.045 197 K CA 0.164 56.418 56.287 -0.054 0.000 0.988 197 K CB -0.054 32.426 32.500 -0.034 0.000 0.783 197 K HN 0.470 nan 8.250 nan 0.000 0.484 198 R N 1.793 122.262 120.500 -0.052 0.000 2.619 198 R HA -0.068 4.272 4.340 -0.001 0.000 0.268 198 R C -1.619 174.635 176.300 -0.076 0.000 0.990 198 R CA -0.528 55.543 56.100 -0.049 0.000 1.092 198 R CB -0.003 30.279 30.300 -0.029 0.000 0.935 198 R HN 0.053 nan 8.270 nan 0.000 0.415 199 P HA -0.109 nan 4.420 nan 0.000 0.234 199 P C -0.496 176.761 177.300 -0.072 0.000 1.167 199 P CA 1.106 64.153 63.100 -0.089 0.000 0.763 199 P CB 0.041 31.706 31.700 -0.060 0.000 0.835 200 N N -1.040 117.635 118.700 -0.042 0.000 2.279 200 N HA 0.308 5.047 4.740 -0.001 0.000 0.226 200 N C 0.312 175.830 175.510 0.014 0.000 1.126 200 N CA -0.514 52.529 53.050 -0.012 0.000 0.846 200 N CB -0.085 38.399 38.487 -0.006 0.000 1.050 200 N HN -0.060 nan 8.380 nan 0.000 0.502 201 A N 0.836 123.659 122.820 0.005 0.000 2.445 201 A HA 0.331 4.650 4.320 -0.001 0.000 0.242 201 A C 0.276 177.987 177.584 0.212 0.000 1.075 201 A CA -0.327 51.759 52.037 0.083 0.000 0.777 201 A CB 0.169 19.211 19.000 0.070 0.000 1.013 201 A HN 0.297 nan 8.150 nan 0.000 0.493 202 I N 1.964 122.639 120.570 0.177 0.000 2.428 202 I HA 0.174 4.343 4.170 -0.001 0.000 0.289 202 I C 0.145 176.352 176.117 0.151 0.000 1.019 202 I CA -0.386 61.002 61.300 0.148 0.000 1.351 202 I CB 0.849 38.841 38.000 -0.014 0.000 1.412 202 I HN 0.590 nan 8.210 nan 0.000 0.513 203 L N 7.739 128.996 121.223 0.056 0.000 2.326 203 L HA 0.349 4.689 4.340 -0.001 0.000 0.278 203 L C -0.179 176.650 176.870 -0.068 0.000 1.092 203 L CA 0.343 55.003 54.840 -0.300 0.000 0.810 203 L CB 0.168 41.957 42.059 -0.449 0.000 1.153 203 L HN 0.522 nan 8.230 nan 0.000 0.439 204 K N 4.699 125.019 120.400 -0.133 0.000 2.426 204 K HA 0.501 4.820 4.320 -0.001 0.000 0.251 204 K C -1.616 174.952 176.600 -0.053 0.000 0.941 204 K CA -1.050 55.218 56.287 -0.031 0.000 0.808 204 K CB 2.482 34.981 32.500 -0.001 0.000 1.265 204 K HN 0.445 nan 8.250 nan 0.000 0.432 205 L N 1.630 122.845 121.223 -0.013 0.000 2.307 205 L HA 0.444 4.783 4.340 -0.001 0.000 0.282 205 L C -0.298 176.598 176.870 0.043 0.000 1.051 205 L CA 0.376 55.183 54.840 -0.055 0.000 0.804 205 L CB 1.525 43.509 42.059 -0.125 0.000 1.197 205 L HN 0.850 nan 8.230 nan 0.000 0.431 206 T N 0.098 114.676 114.554 0.039 0.000 2.888 206 T HA 0.589 4.938 4.350 -0.001 0.000 0.288 206 T C -0.806 173.982 174.700 0.147 0.000 1.063 206 T CA -0.658 61.530 62.100 0.146 0.000 1.010 206 T CB 1.370 70.320 68.868 0.137 0.000 1.214 206 T HN 0.752 nan 8.240 nan 0.000 0.533 207 D N -0.248 120.287 120.400 0.225 0.000 4.531 207 D HA -0.149 4.491 4.640 -0.001 0.000 0.229 207 D C -1.072 175.192 176.300 -0.060 0.000 1.248 207 D CA 0.116 54.219 54.000 0.171 0.000 1.039 207 D CB -0.938 39.937 40.800 0.126 0.000 0.609 207 D HN 0.564 nan 8.370 nan 0.000 0.283 208 F N 1.176 121.114 119.950 -0.020 0.000 2.750 208 F HA 0.362 4.888 4.527 -0.001 0.000 0.297 208 F C 2.097 177.880 175.800 -0.028 0.000 1.138 208 F CA 0.217 58.156 58.000 -0.102 0.000 1.346 208 F CB 0.786 39.758 39.000 -0.047 0.000 0.965 208 F HN 0.388 nan 8.300 nan 0.000 0.514 209 G N -0.830 108.043 108.800 0.122 0.000 2.471 209 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.219 209 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.219 209 G C 1.228 176.120 174.900 -0.013 0.000 1.125 209 G CA 0.633 45.789 45.100 0.093 0.000 0.775 209 G HN 0.393 nan 8.290 nan 0.000 0.548 210 F N 0.788 120.668 119.950 -0.117 0.000 2.682 210 F HA 0.532 5.058 4.527 -0.001 0.000 0.308 210 F C 1.696 177.428 175.800 -0.113 0.000 1.093 210 F CA -0.596 57.342 58.000 -0.103 0.000 1.244 210 F CB 0.582 39.516 39.000 -0.110 0.000 1.052 210 F HN 0.124 nan 8.300 nan 0.000 0.573 211 A N 1.621 124.444 122.820 0.005 0.000 2.520 211 A HA 0.289 4.608 4.320 -0.001 0.000 0.235 211 A C 0.182 177.806 177.584 0.066 0.000 1.065 211 A CA 0.308 52.354 52.037 0.016 0.000 0.764 211 A CB 0.245 19.320 19.000 0.126 0.000 1.002 211 A HN 0.286 nan 8.150 nan 0.000 0.502 212 K N 1.223 121.664 120.400 0.068 0.000 2.502 212 K HA 0.292 4.612 4.320 -0.001 0.000 0.257 212 K C -0.872 175.756 176.600 0.047 0.000 0.938 212 K CA -0.482 55.833 56.287 0.047 0.000 0.819 212 K CB 1.692 34.210 32.500 0.030 0.000 1.333 212 K HN 0.867 nan 8.250 nan 0.000 0.434 213 E N 0.734 120.954 120.200 0.033 0.000 2.354 213 E HA 0.020 4.369 4.350 -0.001 0.000 0.269 213 E C 0.489 177.088 176.600 -0.002 0.000 1.036 213 E CA 0.109 56.522 56.400 0.021 0.000 0.876 213 E CB 1.016 30.727 29.700 0.018 0.000 1.009 213 E HN 0.653 nan 8.360 nan 0.000 0.416 214 T N -1.345 113.199 114.554 -0.015 0.000 3.107 214 T HA 0.028 4.377 4.350 -0.001 0.000 0.249 214 T C 0.733 175.412 174.700 -0.035 0.000 1.096 214 T CA -0.021 62.057 62.100 -0.036 0.000 1.012 214 T CB -0.018 68.812 68.868 -0.063 0.000 0.977 214 T HN 0.469 nan 8.240 nan 0.000 0.527 228 Y N 0.159 120.015 120.300 -0.740 0.000 2.578 228 Y HA 0.145 4.695 4.550 -0.001 0.000 0.297 228 Y C 1.229 176.970 175.900 -0.266 0.000 1.176 228 Y CA 0.526 58.395 58.100 -0.387 0.000 1.315 228 Y CB -1.080 37.275 38.460 -0.176 0.000 1.031 228 Y HN 0.365 nan 8.280 nan 0.000 0.524 229 Y N -1.629 118.698 120.300 0.046 0.000 2.481 229 Y HA 0.476 5.025 4.550 -0.001 0.000 0.247 229 Y C 0.383 176.303 175.900 0.033 0.000 1.151 229 Y CA -1.508 56.632 58.100 0.067 0.000 1.238 229 Y CB -0.828 37.600 38.460 -0.053 0.000 1.179 229 Y HN -0.056 nan 8.280 nan 0.000 0.524 230 V N 2.339 122.285 119.914 0.054 0.000 2.583 230 V HA 0.672 4.791 4.120 -0.001 0.000 0.287 230 V C 0.555 176.685 176.094 0.060 0.000 1.051 230 V CA -0.833 61.510 62.300 0.071 0.000 1.010 230 V CB 0.455 32.275 31.823 -0.005 0.000 0.988 230 V HN 0.474 nan 8.190 nan 0.000 0.478 231 A N 7.673 130.531 122.820 0.063 0.000 2.425 231 A HA 0.460 4.780 4.320 -0.001 0.000 0.242 231 A C -1.453 176.152 177.584 0.034 0.000 1.077 231 A CA -0.803 51.264 52.037 0.050 0.000 0.781 231 A CB -0.125 18.903 19.000 0.047 0.000 1.020 231 A HN 0.802 nan 8.150 nan 0.000 0.494 232 P HA -0.105 nan 4.420 nan 0.000 0.220 232 P C 0.664 177.975 177.300 0.018 0.000 1.148 232 P CA 1.443 64.557 63.100 0.024 0.000 0.803 232 P CB 0.150 31.867 31.700 0.029 0.000 0.782 233 E N -0.688 119.525 120.200 0.021 0.000 2.150 233 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 233 E C 1.746 178.352 176.600 0.010 0.000 0.985 233 E CA 0.796 57.205 56.400 0.015 0.000 0.814 233 E CB -1.094 28.618 29.700 0.019 0.000 0.752 233 E HN 0.063 nan 8.360 nan 0.000 0.466 234 V N 1.008 120.931 119.914 0.014 0.000 3.217 234 V HA -0.059 4.061 4.120 -0.001 0.000 0.264 234 V C 1.005 177.102 176.094 0.005 0.000 1.135 234 V CA 0.810 63.117 62.300 0.012 0.000 1.142 234 V CB -0.456 31.379 31.823 0.020 0.000 0.754 234 V HN 0.252 nan 8.190 nan 0.000 0.484 235 L N 1.872 123.096 121.223 0.003 0.000 2.598 235 L HA 0.599 4.939 4.340 -0.001 0.000 0.241 235 L C 0.751 177.617 176.870 -0.007 0.000 1.244 235 L CA 0.084 54.922 54.840 -0.004 0.000 1.198 235 L CB -0.497 41.559 42.059 -0.005 0.000 1.448 235 L HN 0.364 nan 8.230 nan 0.000 0.406 236 G N 1.465 110.260 108.800 -0.009 0.000 2.777 236 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.686 236 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.686 236 G C -2.346 172.544 174.900 -0.017 0.000 1.177 236 G CA -1.027 44.065 45.100 -0.014 0.000 0.775 236 G HN 0.351 nan 8.290 nan 0.000 0.613 237 P HA 0.119 nan 4.420 nan 0.000 0.198 237 P C 0.583 177.860 177.300 -0.039 0.000 1.043 237 P CA 1.305 64.386 63.100 -0.032 0.000 0.892 237 P CB -0.013 31.663 31.700 -0.040 0.000 0.701 238 E N -1.425 118.743 120.200 -0.053 0.000 7.468 238 E HA -0.134 4.216 4.350 -0.001 0.000 0.282 238 E C -0.119 176.427 176.600 -0.090 0.000 0.816 238 E CA -0.138 56.225 56.400 -0.061 0.000 1.479 238 E CB -0.400 29.274 29.700 -0.042 0.000 0.915 238 E HN 0.322 nan 8.360 nan 0.000 0.264 239 K N 3.450 123.766 120.400 -0.140 0.000 2.894 239 K HA 0.152 4.472 4.320 -0.001 0.000 0.325 239 K C 0.656 177.156 176.600 -0.167 0.000 0.984 239 K CA 0.007 56.122 56.287 -0.286 0.000 1.266 239 K CB -0.021 32.262 32.500 -0.361 0.000 1.423 239 K HN 0.520 nan 8.250 nan 0.000 0.614 240 Y N 0.809 121.094 120.300 -0.026 0.000 2.495 240 Y HA 0.059 4.609 4.550 -0.001 0.000 0.293 240 Y C 1.012 176.895 175.900 -0.029 0.000 1.186 240 Y CA -0.719 57.366 58.100 -0.026 0.000 1.266 240 Y CB -0.164 38.279 38.460 -0.027 0.000 1.101 240 Y HN 0.440 nan 8.280 nan 0.000 0.517 241 D N 1.423 121.858 120.400 0.058 0.000 2.116 241 D HA -0.187 4.452 4.640 -0.001 0.000 0.193 241 D C 1.645 177.958 176.300 0.022 0.000 0.998 241 D CA 1.436 55.454 54.000 0.031 0.000 0.836 241 D CB 0.087 40.881 40.800 -0.009 0.000 0.951 241 D HN 0.429 nan 8.370 nan 0.000 0.449 242 K N 0.673 121.045 120.400 -0.046 0.000 2.062 242 K HA -0.058 4.262 4.320 -0.001 0.000 0.205 242 K C 2.247 178.889 176.600 0.070 0.000 1.051 242 K CA 1.108 57.300 56.287 -0.159 0.000 0.941 242 K CB -0.042 32.199 32.500 -0.431 0.000 0.719 242 K HN 0.072 nan 8.250 nan 0.000 0.440 243 S N 0.299 116.054 115.700 0.091 0.000 2.595 243 S HA -0.135 4.334 4.470 -0.001 0.000 0.235 243 S C 2.068 176.744 174.600 0.126 0.000 0.974 243 S CA 0.905 59.177 58.200 0.120 0.000 0.942 243 S CB -0.643 62.612 63.200 0.092 0.000 0.766 243 S HN 0.446 nan 8.310 nan 0.000 0.536 244 C N 1.165 120.534 119.300 0.115 0.000 2.504 244 C HA 0.118 4.577 4.460 -0.001 0.000 0.279 244 C C 2.092 177.169 174.990 0.144 0.000 1.358 244 C CA 0.467 59.543 59.018 0.097 0.000 1.747 244 C CB -1.064 26.710 27.740 0.056 0.000 2.037 244 C HN 0.506 nan 8.230 nan 0.000 0.503 245 D N 1.118 121.610 120.400 0.154 0.000 2.144 245 D HA -0.108 4.532 4.640 -0.001 0.000 0.199 245 D C 2.163 178.503 176.300 0.067 0.000 0.984 245 D CA 1.264 55.336 54.000 0.121 0.000 0.834 245 D CB -0.338 40.565 40.800 0.172 0.000 0.955 245 D HN 0.399 nan 8.370 nan 0.000 0.465 246 M N -0.369 119.290 119.600 0.098 0.000 2.213 246 M HA -0.133 4.347 4.480 -0.001 0.000 0.263 246 M C 2.070 178.412 176.300 0.070 0.000 1.062 246 M CA 0.766 56.083 55.300 0.028 0.000 1.105 246 M CB -1.169 31.476 32.600 0.075 0.000 1.385 246 M HN 0.334 nan 8.290 nan 0.000 0.417 247 W N 1.319 122.595 121.300 -0.039 0.000 2.354 247 W HA -0.162 4.498 4.660 -0.001 0.000 0.315 247 W C 2.026 178.519 176.519 -0.044 0.000 1.206 247 W CA 1.832 59.154 57.345 -0.037 0.000 1.290 247 W CB -0.624 28.814 29.460 -0.036 0.000 1.152 247 W HN 0.219 nan 8.180 nan 0.000 0.489 248 S N 1.744 117.556 115.700 0.186 0.000 2.380 248 S HA -0.272 4.198 4.470 -0.001 0.000 0.229 248 S C 1.776 176.328 174.600 -0.080 0.000 1.043 248 S CA 1.855 60.084 58.200 0.048 0.000 1.038 248 S CB -0.964 62.263 63.200 0.045 0.000 0.872 248 S HN 0.220 nan 8.310 nan 0.000 0.456 249 L N 1.650 122.804 121.223 -0.114 0.000 2.046 249 L HA -0.025 4.314 4.340 -0.001 0.000 0.208 249 L C 2.434 179.230 176.870 -0.124 0.000 1.077 249 L CA 1.763 56.504 54.840 -0.166 0.000 0.747 249 L CB -1.259 40.598 42.059 -0.337 0.000 0.896 249 L HN 0.371 nan 8.230 nan 0.000 0.432 250 G N -1.570 107.121 108.800 -0.181 0.000 2.421 250 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 250 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 250 G C 1.566 176.318 174.900 -0.246 0.000 1.171 250 G CA 1.009 45.980 45.100 -0.215 0.000 0.775 250 G HN 0.290 nan 8.290 nan 0.000 0.543 251 V N 1.020 120.715 119.914 -0.364 0.000 2.343 251 V HA -0.126 3.994 4.120 -0.001 0.000 0.247 251 V C 2.767 178.854 176.094 -0.013 0.000 1.051 251 V CA 1.453 63.594 62.300 -0.266 0.000 1.036 251 V CB -0.342 31.330 31.823 -0.251 0.000 0.654 251 V HN 0.382 nan 8.190 nan 0.000 0.451 252 I N -0.782 119.811 120.570 0.038 0.000 2.252 252 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 252 I C 2.482 178.737 176.117 0.230 0.000 1.102 252 I CA 1.815 63.226 61.300 0.184 0.000 1.385 252 I CB -0.257 37.825 38.000 0.137 0.000 1.064 252 I HN 0.302 nan 8.210 nan 0.000 0.414 253 M N -0.412 119.285 119.600 0.162 0.000 2.159 253 M HA -0.285 4.194 4.480 -0.001 0.000 0.263 253 M C 2.436 178.867 176.300 0.218 0.000 1.063 253 M CA 1.935 57.354 55.300 0.199 0.000 1.110 253 M CB -0.220 32.477 32.600 0.161 0.000 1.374 253 M HN 0.232 nan 8.290 nan 0.000 0.411 254 Y N 0.961 121.304 120.300 0.073 0.000 2.145 254 Y HA -0.227 4.322 4.550 -0.001 0.000 0.286 254 Y C 1.849 177.794 175.900 0.075 0.000 1.145 254 Y CA 2.134 60.321 58.100 0.145 0.000 1.148 254 Y CB -0.307 38.110 38.460 -0.072 0.000 0.981 254 Y HN 0.194 nan 8.280 nan 0.000 0.507 255 I N -0.315 120.395 120.570 0.234 0.000 2.226 255 I HA -0.336 3.834 4.170 -0.001 0.000 0.245 255 I C 2.368 178.474 176.117 -0.018 0.000 1.100 255 I CA 1.232 62.548 61.300 0.026 0.000 1.374 255 I CB -0.481 37.494 38.000 -0.040 0.000 1.057 255 I HN 0.254 nan 8.210 nan 0.000 0.413 256 L N 0.167 121.514 121.223 0.207 0.000 2.261 256 L HA -0.201 4.139 4.340 -0.001 0.000 0.216 256 L C 2.183 179.166 176.870 0.189 0.000 1.114 256 L CA 1.261 56.298 54.840 0.329 0.000 0.777 256 L CB -0.150 42.155 42.059 0.409 0.000 0.910 256 L HN 0.340 nan 8.230 nan 0.000 0.440 257 L N -1.691 119.482 121.223 -0.083 0.000 2.554 257 L HA -0.031 4.308 4.340 -0.001 0.000 0.225 257 L C 1.895 178.359 176.870 -0.676 0.000 1.104 257 L CA 0.178 54.803 54.840 -0.358 0.000 0.866 257 L CB 0.213 41.956 42.059 -0.528 0.000 1.047 257 L HN 0.488 nan 8.230 nan 0.000 0.468 258 C N -4.589 114.310 119.300 -0.668 0.000 4.304 258 C HA 0.620 5.079 4.460 -0.001 0.000 0.455 258 C C 1.524 176.240 174.990 -0.456 0.000 1.625 258 C CA 0.109 58.684 59.018 -0.739 0.000 2.132 258 C CB 0.592 27.602 27.740 -1.216 0.000 3.225 258 C HN 0.541 nan 8.230 nan 0.000 0.669 259 G N 0.725 109.292 108.800 -0.388 0.000 2.176 259 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.232 259 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.232 259 G C -0.303 174.489 174.900 -0.179 0.000 0.986 259 G CA 0.723 45.663 45.100 -0.266 0.000 0.643 259 G HN 1.497 nan 8.290 nan 0.000 0.522 260 Y N -1.098 119.182 120.300 -0.034 0.000 2.605 260 Y HA 0.871 5.420 4.550 -0.001 0.000 0.343 260 Y C -2.696 173.311 175.900 0.179 0.000 1.036 260 Y CA -3.060 55.079 58.100 0.065 0.000 1.065 260 Y CB 0.856 39.385 38.460 0.115 0.000 1.288 260 Y HN 0.053 nan 8.280 nan 0.000 0.481 261 P HA 0.179 nan 4.420 nan 0.000 0.276 261 P C -2.298 174.793 177.300 -0.348 0.000 1.244 261 P CA -1.796 61.309 63.100 0.009 0.000 0.801 261 P CB 1.427 33.132 31.700 0.009 0.000 1.006 262 P HA 0.026 nan 4.420 nan 0.000 0.225 262 P C -0.184 176.381 177.300 -1.226 0.000 1.156 262 P CA 1.044 63.175 63.100 -1.615 0.000 0.787 262 P CB 0.147 30.441 31.700 -2.343 0.000 0.802 263 F N -1.132 118.576 119.950 -0.403 0.000 2.449 263 F HA 0.392 4.919 4.527 -0.001 0.000 0.342 263 F C 1.014 176.738 175.800 -0.127 0.000 1.127 263 F CA -1.073 56.811 58.000 -0.192 0.000 0.975 263 F CB 1.119 40.081 39.000 -0.065 0.000 1.146 263 F HN -0.217 nan 8.300 nan 0.000 0.444 264 Y N 0.483 120.896 120.300 0.189 0.000 2.684 264 Y HA 0.378 4.928 4.550 -0.001 0.000 0.373 264 Y C 1.338 177.300 175.900 0.104 0.000 1.291 264 Y CA 0.050 58.225 58.100 0.124 0.000 1.472 264 Y CB 1.055 39.566 38.460 0.084 0.000 1.618 264 Y HN 0.619 nan 8.280 nan 0.000 0.674 265 S N -1.491 114.409 115.700 0.334 0.000 3.420 265 S HA 0.358 4.827 4.470 -0.001 0.000 0.173 265 S C -0.932 173.726 174.600 0.096 0.000 0.800 265 S CA 0.426 58.728 58.200 0.170 0.000 0.963 265 S CB -0.460 62.828 63.200 0.147 0.000 1.236 265 S HN 0.865 nan 8.310 nan 0.000 0.827 272 S N 1.027 116.746 115.700 0.032 0.000 2.470 272 S HA 0.273 4.742 4.470 -0.001 0.000 0.222 272 S C -1.288 173.330 174.600 0.030 0.000 1.024 272 S CA 0.700 58.925 58.200 0.041 0.000 0.931 272 S CB -0.506 62.717 63.200 0.039 0.000 0.791 272 S HN 0.598 nan 8.310 nan 0.000 0.513 273 P HA 0.106 nan 4.420 nan 0.000 0.226 273 P C 1.248 178.554 177.300 0.010 0.000 1.153 273 P CA 0.906 64.011 63.100 0.009 0.000 0.777 273 P CB -0.622 31.081 31.700 0.005 0.000 0.794 274 G N -0.316 108.497 108.800 0.021 0.000 2.985 274 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.209 274 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.209 274 G C 1.325 176.255 174.900 0.049 0.000 1.165 274 G CA 0.015 45.132 45.100 0.028 0.000 0.776 274 G HN 0.226 nan 8.290 nan 0.000 0.541 275 M N 0.133 119.767 119.600 0.056 0.000 2.193 275 M HA 0.139 4.619 4.480 -0.001 0.000 0.265 275 M C 2.395 178.703 176.300 0.013 0.000 1.071 275 M CA 1.350 56.698 55.300 0.079 0.000 1.140 275 M CB -0.164 32.493 32.600 0.095 0.000 1.369 275 M HN 0.159 nan 8.290 nan 0.000 0.423 276 K N -0.162 120.228 120.400 -0.016 0.000 2.113 276 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 276 K C 1.600 178.153 176.600 -0.078 0.000 1.047 276 K CA 2.268 58.518 56.287 -0.061 0.000 0.928 276 K CB -0.131 32.342 32.500 -0.046 0.000 0.716 276 K HN 0.601 nan 8.250 nan 0.000 0.446 277 T N -1.336 113.195 114.554 -0.039 0.000 2.978 277 T HA 0.012 4.362 4.350 -0.001 0.000 0.262 277 T C 1.741 176.430 174.700 -0.019 0.000 1.063 277 T CA 0.395 62.475 62.100 -0.033 0.000 1.140 277 T CB -0.158 68.703 68.868 -0.011 0.000 0.886 277 T HN 0.229 nan 8.240 nan 0.000 0.470 278 R N 0.606 121.119 120.500 0.023 0.000 2.193 278 R HA 0.146 4.486 4.340 -0.001 0.000 0.229 278 R C 2.206 178.515 176.300 0.015 0.000 1.110 278 R CA 0.931 57.092 56.100 0.101 0.000 0.988 278 R CB -0.555 29.879 30.300 0.224 0.000 0.871 278 R HN 0.453 nan 8.270 nan 0.000 0.458 279 I N 0.783 121.191 120.570 -0.271 0.000 2.277 279 I HA -0.227 3.942 4.170 -0.001 0.000 0.243 279 I C 2.473 178.395 176.117 -0.324 0.000 1.094 279 I CA 1.146 62.050 61.300 -0.660 0.000 1.393 279 I CB -0.163 37.455 38.000 -0.637 0.000 1.078 279 I HN 0.135 nan 8.210 nan 0.000 0.417 280 R N 0.517 120.889 120.500 -0.212 0.000 2.148 280 R HA -0.037 4.303 4.340 -0.001 0.000 0.223 280 R C 1.955 178.214 176.300 -0.067 0.000 1.088 280 R CA 0.958 56.965 56.100 -0.155 0.000 0.985 280 R CB -0.349 29.872 30.300 -0.131 0.000 0.880 280 R HN 0.235 nan 8.270 nan 0.000 0.451 281 M N 0.506 120.094 119.600 -0.021 0.000 2.388 281 M HA 0.151 4.630 4.480 -0.001 0.000 0.265 281 M C 0.955 177.309 176.300 0.090 0.000 1.088 281 M CA 1.315 56.632 55.300 0.027 0.000 1.134 281 M CB -0.271 32.349 32.600 0.034 0.000 1.384 281 M HN 0.598 nan 8.290 nan 0.000 0.447 282 G N 2.109 111.014 108.800 0.176 0.000 2.212 282 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.255 282 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.255 282 G C -0.227 174.866 174.900 0.322 0.000 1.062 282 G CA -0.097 45.226 45.100 0.372 0.000 0.815 282 G HN 0.505 nan 8.290 nan 0.000 0.497 283 Q N -0.410 119.591 119.800 0.335 0.000 2.377 283 Q HA 0.620 4.959 4.340 -0.001 0.000 0.249 283 Q C 0.008 176.133 176.000 0.209 0.000 1.005 283 Q CA -0.574 55.322 55.803 0.155 0.000 0.912 283 Q CB 0.606 29.416 28.738 0.121 0.000 1.223 283 Q HN 0.794 nan 8.270 nan 0.000 0.459 284 Y N -0.521 119.696 120.300 -0.138 0.000 2.689 284 Y HA 0.694 5.244 4.550 -0.001 0.000 0.333 284 Y C -0.952 174.707 175.900 -0.402 0.000 1.208 284 Y CA -1.258 56.605 58.100 -0.394 0.000 1.055 284 Y CB 1.513 39.445 38.460 -0.880 0.000 1.304 284 Y HN 0.336 nan 8.280 nan 0.000 0.455 285 E N 0.078 120.093 120.200 -0.308 0.000 2.459 285 E HA 0.518 4.868 4.350 -0.001 0.000 0.275 285 E C -1.994 174.263 176.600 -0.572 0.000 0.987 285 E CA -1.093 55.057 56.400 -0.417 0.000 0.828 285 E CB 2.425 32.034 29.700 -0.153 0.000 1.428 285 E HN 0.552 nan 8.360 nan 0.000 0.457 286 F N 1.761 121.552 119.950 -0.266 0.000 2.389 286 F HA 0.305 4.831 4.527 -0.001 0.000 0.327 286 F C -2.075 173.635 175.800 -0.150 0.000 1.204 286 F CA -1.758 55.831 58.000 -0.685 0.000 1.209 286 F CB 0.544 39.079 39.000 -0.776 0.000 1.460 286 F HN 0.027 nan 8.300 nan 0.000 0.537 287 P HA 0.070 nan 4.420 nan 0.000 0.272 287 P C -0.333 177.180 177.300 0.354 0.000 1.223 287 P CA -0.242 63.022 63.100 0.273 0.000 0.784 287 P CB 0.824 32.677 31.700 0.255 0.000 0.923 288 N N 2.169 120.994 118.700 0.208 0.000 2.483 288 N HA 0.153 4.893 4.740 -0.001 0.000 0.269 288 N C -1.295 174.274 175.510 0.098 0.000 1.209 288 N CA -1.236 51.899 53.050 0.142 0.000 0.969 288 N CB -0.122 38.422 38.487 0.095 0.000 1.173 288 N HN 0.393 nan 8.380 nan 0.000 0.475 289 P HA 0.096 nan 4.420 nan 0.000 0.240 289 P C 0.280 177.441 177.300 -0.232 0.000 1.190 289 P CA 0.687 63.768 63.100 -0.031 0.000 0.781 289 P CB 0.571 32.282 31.700 0.019 0.000 0.931 290 E N -0.149 119.851 120.200 -0.333 0.000 2.077 290 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 290 E C 1.282 177.609 176.600 -0.454 0.000 0.989 290 E CA 1.462 57.465 56.400 -0.662 0.000 0.800 290 E CB -0.812 28.598 29.700 -0.484 0.000 0.746 290 E HN 0.396 nan 8.360 nan 0.000 0.452 291 W N 0.557 121.784 121.300 -0.121 0.000 3.256 291 W HA 0.099 4.759 4.660 -0.001 0.000 0.269 291 W C 1.886 178.361 176.519 -0.073 0.000 1.310 291 W CA 0.612 57.907 57.345 -0.084 0.000 1.673 291 W CB 0.067 29.536 29.460 0.015 0.000 1.115 291 W HN 0.029 nan 8.180 nan 0.000 0.686 292 S N -0.218 115.542 115.700 0.100 0.000 2.447 292 S HA -0.145 4.324 4.470 -0.001 0.000 0.233 292 S C 1.366 175.988 174.600 0.036 0.000 1.006 292 S CA 1.108 59.349 58.200 0.069 0.000 0.957 292 S CB -0.240 62.992 63.200 0.054 0.000 0.773 292 S HN 0.311 nan 8.310 nan 0.000 0.507 293 E N 1.158 121.365 120.200 0.012 0.000 2.400 293 E HA 0.176 4.526 4.350 -0.001 0.000 0.195 293 E C 0.139 176.734 176.600 -0.008 0.000 1.012 293 E CA 0.058 56.460 56.400 0.004 0.000 0.875 293 E CB -0.114 29.585 29.700 -0.000 0.000 0.859 293 E HN 0.345 nan 8.360 nan 0.000 0.498 294 V N 3.921 123.828 119.914 -0.012 0.000 2.479 294 V HA -0.019 4.101 4.120 -0.001 0.000 0.281 294 V C 0.775 176.851 176.094 -0.030 0.000 1.031 294 V CA -0.258 62.028 62.300 -0.023 0.000 1.038 294 V CB 0.678 32.508 31.823 0.013 0.000 0.981 294 V HN 0.180 nan 8.190 nan 0.000 0.478 295 S N 3.027 118.700 115.700 -0.044 0.000 2.563 295 S HA 0.024 4.494 4.470 -0.001 0.000 0.284 295 S C 1.020 175.550 174.600 -0.117 0.000 1.331 295 S CA -0.074 58.093 58.200 -0.055 0.000 1.047 295 S CB 0.873 64.062 63.200 -0.018 0.000 0.859 295 S HN 0.817 nan 8.310 nan 0.000 0.514 296 E N 0.987 121.127 120.200 -0.100 0.000 2.204 296 E HA -0.183 4.167 4.350 -0.001 0.000 0.194 296 E C 1.799 178.316 176.600 -0.138 0.000 0.989 296 E CA 1.640 57.960 56.400 -0.133 0.000 0.824 296 E CB -0.262 29.387 29.700 -0.083 0.000 0.756 296 E HN 0.858 nan 8.360 nan 0.000 0.477 297 E N -0.470 119.672 120.200 -0.097 0.000 2.110 297 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 297 E C 1.809 178.301 176.600 -0.180 0.000 0.988 297 E CA 1.541 57.904 56.400 -0.063 0.000 0.804 297 E CB 0.152 29.862 29.700 0.016 0.000 0.745 297 E HN 0.247 nan 8.360 nan 0.000 0.458 298 V N 1.136 120.838 119.914 -0.354 0.000 2.323 298 V HA -0.197 3.922 4.120 -0.001 0.000 0.244 298 V C 2.257 178.096 176.094 -0.424 0.000 1.041 298 V CA 1.778 63.713 62.300 -0.608 0.000 1.025 298 V CB -0.446 30.913 31.823 -0.773 0.000 0.656 298 V HN 0.177 nan 8.190 nan 0.000 0.451 299 K N -0.549 119.602 120.400 -0.415 0.000 2.113 299 K HA -0.232 4.087 4.320 -0.001 0.000 0.208 299 K C 2.123 178.539 176.600 -0.306 0.000 1.047 299 K CA 1.816 57.724 56.287 -0.632 0.000 0.928 299 K CB -0.281 31.648 32.500 -0.952 0.000 0.716 299 K HN 0.261 nan 8.250 nan 0.000 0.446 300 M N 0.666 120.149 119.600 -0.196 0.000 2.200 300 M HA -0.062 4.418 4.480 -0.001 0.000 0.265 300 M C 1.825 178.111 176.300 -0.023 0.000 1.066 300 M CA 1.083 56.346 55.300 -0.063 0.000 1.127 300 M CB -0.223 32.359 32.600 -0.030 0.000 1.379 300 M HN 0.101 nan 8.290 nan 0.000 0.420 301 L N -0.058 121.104 121.223 -0.100 0.000 2.017 301 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 301 L C 2.076 178.916 176.870 -0.050 0.000 1.073 301 L CA 1.897 56.659 54.840 -0.130 0.000 0.745 301 L CB -0.769 41.025 42.059 -0.443 0.000 0.894 301 L HN 0.361 nan 8.230 nan 0.000 0.432 302 I N -0.726 119.808 120.570 -0.060 0.000 2.208 302 I HA -0.312 3.858 4.170 -0.001 0.000 0.245 302 I C 2.711 178.876 176.117 0.080 0.000 1.097 302 I CA 1.283 62.599 61.300 0.027 0.000 1.363 302 I CB -0.384 37.691 38.000 0.126 0.000 1.051 302 I HN 0.267 nan 8.210 nan 0.000 0.413 303 R N 0.511 121.116 120.500 0.174 0.000 2.127 303 R HA -0.206 4.134 4.340 -0.001 0.000 0.238 303 R C 1.893 178.284 176.300 0.153 0.000 1.134 303 R CA 1.810 58.054 56.100 0.240 0.000 0.975 303 R CB -0.285 30.149 30.300 0.223 0.000 0.865 303 R HN 0.362 nan 8.270 nan 0.000 0.447 304 N N -0.429 118.333 118.700 0.104 0.000 2.415 304 N HA 0.016 4.756 4.740 -0.001 0.000 0.176 304 N C 1.341 176.912 175.510 0.101 0.000 1.042 304 N CA 0.271 53.383 53.050 0.103 0.000 0.902 304 N CB 0.281 38.828 38.487 0.101 0.000 0.986 304 N HN 0.111 nan 8.380 nan 0.000 0.447 305 L N -0.269 120.994 121.223 0.067 0.000 2.307 305 L HA 0.119 4.458 4.340 -0.001 0.000 0.211 305 L C 0.953 177.831 176.870 0.014 0.000 1.099 305 L CA 0.484 55.349 54.840 0.041 0.000 0.816 305 L CB 0.095 42.145 42.059 -0.015 0.000 0.952 305 L HN 0.190 nan 8.230 nan 0.000 0.455 306 L N -0.155 121.036 121.223 -0.053 0.000 2.728 306 L HA 0.124 4.463 4.340 -0.001 0.000 0.235 306 L C 0.431 177.472 176.870 0.284 0.000 1.197 306 L CA -0.085 54.656 54.840 -0.165 0.000 0.992 306 L CB -0.186 41.559 42.059 -0.523 0.000 1.263 306 L HN 0.080 nan 8.230 nan 0.000 0.484 307 K N 0.519 121.081 120.400 0.271 0.000 2.448 307 K HA 0.004 4.324 4.320 -0.001 0.000 0.278 307 K C 1.464 178.241 176.600 0.296 0.000 1.009 307 K CA 0.284 56.725 56.287 0.257 0.000 0.995 307 K CB 1.181 33.776 32.500 0.158 0.000 0.917 307 K HN 0.133 nan 8.250 nan 0.000 0.481 308 T N -1.257 113.425 114.554 0.213 0.000 2.985 308 T HA -0.118 4.231 4.350 -0.001 0.000 0.266 308 T C 0.715 175.389 174.700 -0.043 0.000 1.076 308 T CA 0.409 62.557 62.100 0.080 0.000 1.135 308 T CB 0.057 68.950 68.868 0.042 0.000 0.890 308 T HN 0.484 nan 8.240 nan 0.000 0.480 309 E N 3.785 123.974 120.200 -0.017 0.000 2.129 309 E HA 0.205 4.555 4.350 -0.001 0.000 0.283 309 E C -1.474 175.065 176.600 -0.100 0.000 1.080 309 E CA -2.945 53.407 56.400 -0.080 0.000 0.867 309 E CB 1.161 30.834 29.700 -0.044 0.000 1.056 309 E HN 0.112 nan 8.360 nan 0.000 0.404 310 P HA -0.207 nan 4.420 nan 0.000 0.217 310 P C 0.942 178.171 177.300 -0.119 0.000 1.148 310 P CA 1.617 64.588 63.100 -0.216 0.000 0.828 310 P CB 0.008 31.403 31.700 -0.508 0.000 0.783 311 T N -3.481 110.995 114.554 -0.130 0.000 2.985 311 T HA -0.057 4.293 4.350 -0.001 0.000 0.266 311 T C 1.993 176.701 174.700 0.014 0.000 1.076 311 T CA 0.648 62.732 62.100 -0.027 0.000 1.135 311 T CB -0.827 68.037 68.868 -0.006 0.000 0.890 311 T HN 0.137 nan 8.240 nan 0.000 0.480 312 Q N 0.231 120.037 119.800 0.010 0.000 2.436 312 Q HA 0.142 4.481 4.340 -0.001 0.000 0.209 312 Q C 1.106 177.144 176.000 0.063 0.000 0.965 312 Q CA 0.179 56.005 55.803 0.039 0.000 0.910 312 Q CB 0.082 28.844 28.738 0.040 0.000 0.980 312 Q HN 0.490 nan 8.270 nan 0.000 0.491 313 R N 0.809 121.349 120.500 0.067 0.000 2.594 313 R HA 0.157 4.497 4.340 -0.001 0.000 0.272 313 R C 0.020 176.381 176.300 0.102 0.000 1.074 313 R CA -0.154 56.004 56.100 0.097 0.000 1.105 313 R CB 0.537 30.902 30.300 0.108 0.000 1.008 313 R HN 0.107 nan 8.270 nan 0.000 0.472 314 M N 2.669 122.340 119.600 0.118 0.000 2.245 314 M HA 0.022 4.502 4.480 -0.001 0.000 0.344 314 M C 0.057 176.439 176.300 0.137 0.000 1.170 314 M CA 0.277 55.659 55.300 0.136 0.000 1.135 314 M CB 0.825 33.529 32.600 0.173 0.000 1.574 314 M HN 0.766 nan 8.290 nan 0.000 0.452 315 T N 1.589 116.228 114.554 0.142 0.000 2.849 315 T HA 0.181 4.530 4.350 -0.001 0.000 0.284 315 T C 0.898 175.700 174.700 0.170 0.000 1.004 315 T CA -0.832 61.357 62.100 0.149 0.000 1.021 315 T CB 0.874 69.823 68.868 0.134 0.000 1.013 315 T HN 0.726 nan 8.240 nan 0.000 0.527 316 I N 1.205 121.872 120.570 0.162 0.000 2.454 316 I HA -0.061 4.109 4.170 -0.001 0.000 0.254 316 I C 2.315 178.548 176.117 0.192 0.000 1.156 316 I CA 1.701 63.075 61.300 0.123 0.000 1.433 316 I CB -0.804 37.190 38.000 -0.009 0.000 1.082 316 I HN 0.901 nan 8.210 nan 0.000 0.432 317 T N 0.042 114.695 114.554 0.163 0.000 2.812 317 T HA -0.109 4.241 4.350 -0.001 0.000 0.264 317 T C 1.707 176.500 174.700 0.155 0.000 1.042 317 T CA 1.434 63.620 62.100 0.143 0.000 1.140 317 T CB -0.197 68.736 68.868 0.107 0.000 0.870 317 T HN 0.444 nan 8.240 nan 0.000 0.445 318 E N 0.343 120.643 120.200 0.166 0.000 2.110 318 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 318 E C 1.763 178.494 176.600 0.218 0.000 0.988 318 E CA 0.865 57.364 56.400 0.165 0.000 0.804 318 E CB -0.230 29.565 29.700 0.158 0.000 0.745 318 E HN 0.502 nan 8.360 nan 0.000 0.458 319 F N 0.907 120.919 119.950 0.102 0.000 2.113 319 F HA -0.154 4.373 4.527 -0.001 0.000 0.297 319 F C 2.049 177.919 175.800 0.118 0.000 1.103 319 F CA 1.086 59.151 58.000 0.108 0.000 1.248 319 F CB 0.083 39.121 39.000 0.063 0.000 0.999 319 F HN -0.065 nan 8.300 nan 0.000 0.475 320 M N 0.294 120.034 119.600 0.233 0.000 2.460 320 M HA -0.111 4.368 4.480 -0.001 0.000 0.263 320 M C 1.086 177.402 176.300 0.028 0.000 1.071 320 M CA 0.936 56.295 55.300 0.099 0.000 1.096 320 M CB -1.249 31.445 32.600 0.157 0.000 1.408 320 M HN 0.214 nan 8.290 nan 0.000 0.463 321 N N -0.811 117.922 118.700 0.054 0.000 2.299 321 N HA -0.036 4.703 4.740 -0.001 0.000 0.187 321 N C 0.417 175.944 175.510 0.028 0.000 1.099 321 N CA 0.152 53.223 53.050 0.036 0.000 0.867 321 N CB -0.078 38.435 38.487 0.043 0.000 0.974 321 N HN 0.358 nan 8.380 nan 0.000 0.477 322 H N 3.345 122.373 119.070 -0.069 0.000 2.964 322 H HA 0.026 4.582 4.556 -0.001 0.000 0.328 322 H C -1.349 173.958 175.328 -0.036 0.000 1.030 322 H CA -0.859 55.155 56.048 -0.057 0.000 1.445 322 H CB 1.393 31.089 29.762 -0.109 0.000 1.449 322 H HN 0.021 nan 8.280 nan 0.000 0.581 323 P HA -0.198 nan 4.420 nan 0.000 0.217 323 P C 1.580 178.994 177.300 0.190 0.000 1.148 323 P CA 1.203 64.318 63.100 0.024 0.000 0.828 323 P CB -0.175 31.486 31.700 -0.064 0.000 0.783 324 W N 0.483 121.935 121.300 0.254 0.000 2.425 324 W HA -0.096 4.564 4.660 -0.001 0.000 0.277 324 W C 1.922 178.414 176.519 -0.045 0.000 1.231 324 W CA 1.073 58.467 57.345 0.080 0.000 1.248 324 W CB -0.246 29.230 29.460 0.026 0.000 1.117 324 W HN -0.222 nan 8.180 nan 0.000 0.568 325 I N -0.695 119.900 120.570 0.041 0.000 2.556 325 I HA -0.199 3.971 4.170 -0.001 0.000 0.251 325 I C 2.316 178.349 176.117 -0.141 0.000 1.105 325 I CA 0.815 62.009 61.300 -0.177 0.000 1.436 325 I CB -1.393 36.428 38.000 -0.299 0.000 1.139 325 I HN -0.030 nan 8.210 nan 0.000 0.438 326 M N 0.686 120.246 119.600 -0.067 0.000 2.110 326 M HA -0.224 4.255 4.480 -0.001 0.000 0.257 326 M C 0.663 176.919 176.300 -0.073 0.000 1.071 326 M CA 1.857 57.125 55.300 -0.052 0.000 1.096 326 M CB -0.943 31.642 32.600 -0.026 0.000 1.300 326 M HN 0.242 nan 8.290 nan 0.000 0.411 327 Q N -0.308 119.443 119.800 -0.082 0.000 2.730 327 Q HA 0.220 4.560 4.340 -0.001 0.000 0.244 327 Q C 1.015 176.917 176.000 -0.163 0.000 1.176 327 Q CA -0.346 55.400 55.803 -0.095 0.000 1.024 327 Q CB 0.532 29.232 28.738 -0.063 0.000 1.215 327 Q HN 0.196 nan 8.270 nan 0.000 0.542 328 S N 0.038 115.616 115.700 -0.203 0.000 2.383 328 S HA -0.163 4.307 4.470 -0.001 0.000 0.229 328 S C 1.888 176.348 174.600 -0.234 0.000 1.030 328 S CA 1.882 59.906 58.200 -0.294 0.000 1.002 328 S CB -0.130 62.921 63.200 -0.247 0.000 0.829 328 S HN 0.775 nan 8.310 nan 0.000 0.467 329 T N -0.342 114.121 114.554 -0.152 0.000 3.148 329 T HA 0.154 4.504 4.350 -0.001 0.000 0.253 329 T C 1.083 175.726 174.700 -0.095 0.000 1.134 329 T CA 0.471 62.503 62.100 -0.113 0.000 1.051 329 T CB -0.128 68.692 68.868 -0.081 0.000 0.959 329 T HN 0.414 nan 8.240 nan 0.000 0.525 330 K N 1.108 121.447 120.400 -0.101 0.000 2.387 330 K HA 0.294 4.613 4.320 -0.001 0.000 0.203 330 K C -0.383 176.176 176.600 -0.068 0.000 1.030 330 K CA -0.234 56.011 56.287 -0.069 0.000 1.099 330 K CB 0.628 33.097 32.500 -0.051 0.000 0.863 330 K HN 0.194 nan 8.250 nan 0.000 0.529 331 V N 4.697 124.540 119.914 -0.119 0.000 2.498 331 V HA 0.203 4.323 4.120 -0.001 0.000 0.279 331 V C -2.093 173.963 176.094 -0.064 0.000 1.048 331 V CA -1.878 60.357 62.300 -0.108 0.000 0.967 331 V CB 1.041 32.683 31.823 -0.301 0.000 0.988 331 V HN 0.314 nan 8.190 nan 0.000 0.473 332 P HA -0.046 nan 4.420 nan 0.000 0.264 332 P C 0.082 177.359 177.300 -0.038 0.000 1.179 332 P CA 0.170 63.262 63.100 -0.012 0.000 0.763 332 P CB 0.567 32.277 31.700 0.016 0.000 0.806 333 Q N 0.115 119.887 119.800 -0.048 0.000 2.431 333 Q HA -0.017 4.323 4.340 -0.001 0.000 0.210 333 Q C 0.811 176.773 176.000 -0.062 0.000 0.958 333 Q CA 0.400 56.163 55.803 -0.065 0.000 0.957 333 Q CB -0.627 28.078 28.738 -0.056 0.000 1.007 333 Q HN 0.563 nan 8.270 nan 0.000 0.511 334 T N 2.169 116.696 114.554 -0.044 0.000 2.891 334 T HA 0.058 4.408 4.350 -0.001 0.000 0.296 334 T C -2.459 172.207 174.700 -0.057 0.000 1.025 334 T CA -1.082 60.996 62.100 -0.037 0.000 1.149 334 T CB 0.630 69.488 68.868 -0.018 0.000 1.007 334 T HN -0.018 nan 8.240 nan 0.000 0.528 335 P HA 0.377 nan 4.420 nan 0.000 0.279 335 P C -0.808 176.479 177.300 -0.021 0.000 1.239 335 P CA -0.769 62.303 63.100 -0.048 0.000 0.789 335 P CB 0.584 32.259 31.700 -0.042 0.000 0.933 336 L N 2.836 124.054 121.223 -0.009 0.000 2.331 336 L HA 0.342 4.681 4.340 -0.001 0.000 0.268 336 L C 1.570 178.509 176.870 0.115 0.000 1.015 336 L CA -0.555 54.317 54.840 0.053 0.000 0.807 336 L CB -0.309 41.745 42.059 -0.009 0.000 1.293 336 L HN 0.424 nan 8.230 nan 0.000 0.451 337 H N -0.870 118.151 119.070 -0.082 0.000 2.551 337 H HA 0.037 4.592 4.556 -0.001 0.000 0.266 337 H C 1.493 176.795 175.328 -0.043 0.000 0.977 337 H CA 0.760 56.776 56.048 -0.053 0.000 1.163 337 H CB -0.183 29.543 29.762 -0.061 0.000 1.381 337 H HN 0.629 nan 8.280 nan 0.000 0.581 338 T N -0.578 114.027 114.554 0.085 0.000 2.624 338 T HA -0.293 4.056 4.350 -0.001 0.000 0.268 338 T C 2.321 176.994 174.700 -0.044 0.000 1.041 338 T CA 1.862 63.968 62.100 0.010 0.000 1.159 338 T CB -0.483 68.452 68.868 0.111 0.000 0.863 338 T HN 0.383 nan 8.240 nan 0.000 0.434 339 S N 0.214 115.904 115.700 -0.016 0.000 2.372 339 S HA -0.185 4.285 4.470 -0.001 0.000 0.227 339 S C 2.198 176.757 174.600 -0.069 0.000 1.044 339 S CA 1.658 59.817 58.200 -0.068 0.000 1.050 339 S CB -0.217 62.971 63.200 -0.021 0.000 0.901 339 S HN 0.458 nan 8.310 nan 0.000 0.447 340 R N -0.139 120.336 120.500 -0.042 0.000 2.066 340 R HA 0.057 4.396 4.340 -0.001 0.000 0.224 340 R C 2.143 178.418 176.300 -0.041 0.000 1.122 340 R CA 1.256 57.331 56.100 -0.041 0.000 0.974 340 R CB -0.363 29.916 30.300 -0.034 0.000 0.871 340 R HN 0.351 nan 8.270 nan 0.000 0.435 341 V N 1.712 121.618 119.914 -0.013 0.000 2.568 341 V HA -0.235 3.884 4.120 -0.001 0.000 0.253 341 V C 2.139 178.171 176.094 -0.103 0.000 1.072 341 V CA 1.147 63.444 62.300 -0.004 0.000 1.084 341 V CB -0.431 31.437 31.823 0.074 0.000 0.676 341 V HN 0.278 nan 8.190 nan 0.000 0.469 342 L N 0.670 121.787 121.223 -0.176 0.000 2.068 342 L HA -0.081 4.258 4.340 -0.001 0.000 0.204 342 L C 2.580 179.284 176.870 -0.276 0.000 1.076 342 L CA 1.962 56.604 54.840 -0.330 0.000 0.753 342 L CB -0.751 41.109 42.059 -0.332 0.000 0.910 342 L HN 0.457 nan 8.230 nan 0.000 0.439 343 K N -1.076 119.228 120.400 -0.160 0.000 2.103 343 K HA -0.169 4.150 4.320 -0.001 0.000 0.204 343 K C 1.765 178.318 176.600 -0.078 0.000 1.052 343 K CA 1.353 57.576 56.287 -0.107 0.000 0.945 343 K CB -0.530 31.929 32.500 -0.068 0.000 0.722 343 K HN 0.273 nan 8.250 nan 0.000 0.443 344 E N 0.809 120.968 120.200 -0.068 0.000 2.510 344 E HA -0.132 4.218 4.350 -0.001 0.000 0.202 344 E C -0.032 176.547 176.600 -0.036 0.000 1.072 344 E CA 0.462 56.839 56.400 -0.038 0.000 0.883 344 E CB 0.196 29.883 29.700 -0.021 0.000 0.818 344 E HN 0.228 nan 8.360 nan 0.000 0.548 345 D N -0.665 119.692 120.400 -0.072 0.000 2.908 345 D HA 0.081 4.721 4.640 -0.001 0.000 0.361 345 D C 0.493 176.768 176.300 -0.041 0.000 1.416 345 D CA -0.099 53.874 54.000 -0.046 0.000 0.796 345 D CB 0.295 41.059 40.800 -0.058 0.000 1.185 345 D HN -0.098 nan 8.370 nan 0.000 0.451 346 K N 0.273 120.662 120.400 -0.019 0.000 2.209 346 K HA -0.111 4.208 4.320 -0.001 0.000 0.204 346 K C 1.665 178.340 176.600 0.125 0.000 1.048 346 K CA 1.185 57.492 56.287 0.035 0.000 0.940 346 K CB 0.462 32.978 32.500 0.027 0.000 0.729 346 K HN 0.106 nan 8.250 nan 0.000 0.451 347 E N 0.803 121.066 120.200 0.105 0.000 1.996 347 E HA -0.203 4.147 4.350 -0.001 0.000 0.197 347 E C 1.067 177.763 176.600 0.160 0.000 1.002 347 E CA 1.430 57.897 56.400 0.112 0.000 0.840 347 E CB -0.610 29.137 29.700 0.079 0.000 0.786 347 E HN 0.426 nan 8.360 nan 0.000 0.469 348 R N 0.264 120.872 120.500 0.179 0.000 4.160 348 R HA 0.085 4.424 4.340 -0.001 0.000 0.216 348 R C 0.662 177.163 176.300 0.334 0.000 2.009 348 R CA 0.067 56.290 56.100 0.205 0.000 1.664 348 R CB -0.869 29.541 30.300 0.184 0.000 1.216 348 R HN 0.272 nan 8.270 nan 0.000 0.648 349 W N 0.910 122.233 121.300 0.039 0.000 2.075 349 W HA 0.217 4.877 4.660 -0.001 0.000 0.332 349 W C -0.619 175.922 176.519 0.038 0.000 0.905 349 W CA 0.099 57.466 57.345 0.036 0.000 2.126 349 W CB 0.664 30.141 29.460 0.028 0.000 1.143 349 W HN 0.412 nan 8.180 nan 0.000 0.542 350 E N 0.000 120.259 120.200 0.099 0.000 2.725 350 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 350 E CA 0.000 56.431 56.400 0.051 0.000 0.976 350 E CB 0.000 29.745 29.700 0.075 0.000 0.812 350 E HN 0.000 nan 8.360 nan 0.000 0.440