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 3jwd_1_B DATA FIRST_RESID 31 DATA SEQUENCE TEKLWVTVYY GVPVWKEATT TLFcASDAKA YDTEVHNVWA THAcVPTDPN DATA SEQUENCE PQEVVLVNVT ENFNMWKNDM VEQMHEDIIS LWDQSLKPcV KLTGXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXGSV ITQAcPKVSF EPIPIHYcAP AGFAILKcNN DATA SEQUENCE KTFNGTGPcT NVSTVQcTHG IRPVVSSQLL LNGSLAEEEV VIRSVNFTDN DATA SEQUENCE AKTIIVQLNT SVEINcTGAX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGH DATA SEQUENCE cNIARAKWNN TLKQIASKLR EQFGNNKTII FKQSSGGDPE IVTHWFNcGG DATA SEQUENCE EFFYcNSTQL FNSTWFXXXX XXXXXXXXXG SDTITLPcRI KQIINMWQKV DATA SEQUENCE GKAMYAPPIS GQIRcSSNIT GLLLTRDGGN SNNESEIFRP GGGDMRDNWR DATA SEQUENCE SELYKYKVVK IEPLGVAPT 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 31 T HA 0.000 nan 4.350 nan 0.000 0.228 31 T C 0.000 174.732 174.700 0.054 0.000 1.109 31 T CA 0.000 62.124 62.100 0.041 0.000 1.349 31 T CB 0.000 68.889 68.868 0.034 0.000 0.612 32 E N 2.345 122.574 120.200 0.049 0.000 2.281 32 E HA 0.757 5.107 4.350 -0.000 0.000 0.257 32 E C 0.002 176.636 176.600 0.056 0.000 0.971 32 E CA -1.212 55.223 56.400 0.058 0.000 0.839 32 E CB 2.024 31.757 29.700 0.055 0.000 1.238 32 E HN 0.614 nan 8.360 nan 0.000 0.412 33 K N -0.116 120.329 120.400 0.074 0.000 2.066 33 K HA 0.254 4.574 4.320 -0.000 0.000 0.261 33 K C 1.010 177.676 176.600 0.111 0.000 0.992 33 K CA -0.742 55.595 56.287 0.083 0.000 1.309 33 K CB -0.161 32.391 32.500 0.085 0.000 2.459 33 K HN 0.329 nan 8.250 nan 0.000 0.942 34 L N -0.620 120.701 121.223 0.164 0.000 2.131 34 L HA 0.093 4.433 4.340 -0.000 0.000 0.210 34 L C -0.193 176.867 176.870 0.318 0.000 1.092 34 L CA 1.479 56.461 54.840 0.237 0.000 0.759 34 L CB -0.195 42.051 42.059 0.311 0.000 0.903 34 L HN 0.474 nan 8.230 nan 0.000 0.435 35 W N -2.912 118.388 121.300 -0.001 0.000 3.021 35 W HA 0.577 5.237 4.660 -0.000 0.000 0.337 35 W C -0.735 175.781 176.519 -0.006 0.000 1.171 35 W CA -0.788 56.555 57.345 -0.002 0.000 1.060 35 W CB 0.839 30.297 29.460 -0.003 0.000 1.472 35 W HN -0.597 nan 8.180 nan 0.000 0.594 36 V N 1.636 121.689 119.914 0.231 0.000 2.370 36 V HA 0.300 4.420 4.120 -0.000 0.000 0.283 36 V C 0.083 176.234 176.094 0.096 0.000 1.023 36 V CA -0.917 61.452 62.300 0.116 0.000 0.857 36 V CB 0.756 32.611 31.823 0.053 0.000 0.985 36 V HN 0.488 nan 8.190 nan 0.000 0.443 37 T N 2.902 117.469 114.554 0.020 0.000 2.738 37 T HA 0.465 4.815 4.350 -0.000 0.000 0.294 37 T C -0.214 174.336 174.700 -0.250 0.000 0.914 37 T CA -0.506 61.529 62.100 -0.108 0.000 1.052 37 T CB 0.482 69.236 68.868 -0.190 0.000 0.897 37 T HN 0.258 nan 8.240 nan 0.000 0.522 38 V N 4.481 124.272 119.914 -0.205 0.000 2.614 38 V HA 0.155 4.275 4.120 -0.000 0.000 0.291 38 V C -0.238 175.594 176.094 -0.435 0.000 1.049 38 V CA -0.622 61.489 62.300 -0.316 0.000 1.038 38 V CB -0.241 31.275 31.823 -0.512 0.000 0.980 38 V HN 0.826 nan 8.190 nan 0.000 0.481 39 Y N 4.567 124.742 120.300 -0.208 0.000 2.751 39 Y HA 0.401 4.951 4.550 -0.000 0.000 0.333 39 Y C 0.105 175.939 175.900 -0.111 0.000 1.122 39 Y CA -0.508 57.537 58.100 -0.092 0.000 1.367 39 Y CB -0.287 38.147 38.460 -0.043 0.000 1.242 39 Y HN 0.513 nan 8.280 nan 0.000 0.505 40 Y N 0.602 120.957 120.300 0.091 0.000 2.411 40 Y HA 0.325 4.875 4.550 -0.000 0.000 0.333 40 Y C 1.189 177.134 175.900 0.075 0.000 1.186 40 Y CA -0.389 57.753 58.100 0.070 0.000 1.381 40 Y CB 0.915 39.397 38.460 0.036 0.000 1.273 40 Y HN 0.614 nan 8.280 nan 0.000 0.546 41 G N 2.700 111.629 108.800 0.215 0.000 2.504 41 G HA2 0.449 4.409 3.960 -0.000 0.000 0.326 41 G HA3 0.449 4.409 3.960 -0.000 0.000 0.326 41 G C -1.000 173.980 174.900 0.133 0.000 1.073 41 G CA -0.478 44.707 45.100 0.142 0.000 1.030 41 G HN 0.479 nan 8.290 nan 0.000 0.448 42 V N 4.706 124.683 119.914 0.106 0.000 2.614 42 V HA 0.169 4.289 4.120 -0.000 0.000 0.291 42 V C -1.685 174.450 176.094 0.068 0.000 1.049 42 V CA -1.220 61.126 62.300 0.075 0.000 1.038 42 V CB 1.593 33.434 31.823 0.029 0.000 0.980 42 V HN 0.531 nan 8.190 nan 0.000 0.481 43 P HA 0.226 nan 4.420 nan 0.000 0.271 43 P C -1.006 176.337 177.300 0.071 0.000 1.216 43 P CA 0.044 63.249 63.100 0.175 0.000 0.771 43 P CB 0.606 32.514 31.700 0.346 0.000 0.864 44 V N 4.012 123.971 119.914 0.075 0.000 2.577 44 V HA 0.638 4.757 4.120 -0.000 0.000 0.303 44 V C -0.573 175.564 176.094 0.072 0.000 1.042 44 V CA -0.352 61.887 62.300 -0.102 0.000 0.872 44 V CB 1.169 32.935 31.823 -0.095 0.000 0.998 44 V HN 0.763 nan 8.190 nan 0.000 0.423 45 W N 3.391 124.685 121.300 -0.010 0.000 3.165 45 W HA 0.921 5.581 4.660 -0.000 0.000 0.351 45 W C -0.905 175.609 176.519 -0.008 0.000 1.164 45 W CA -1.343 55.994 57.345 -0.013 0.000 1.074 45 W CB 1.535 30.991 29.460 -0.007 0.000 1.499 45 W HN 0.581 nan 8.180 nan 0.000 0.600 46 K N 0.759 121.367 120.400 0.346 0.000 2.622 46 K HA 0.073 4.393 4.320 -0.000 0.000 0.263 46 K C -1.038 175.686 176.600 0.207 0.000 0.947 46 K CA -0.532 55.874 56.287 0.198 0.000 0.885 46 K CB 1.599 34.146 32.500 0.078 0.000 1.362 46 K HN 0.718 nan 8.250 nan 0.000 0.413 47 E N 1.344 121.642 120.200 0.162 0.000 2.568 47 E HA 0.148 4.498 4.350 -0.000 0.000 0.262 47 E C -0.608 176.068 176.600 0.127 0.000 0.961 47 E CA 0.904 57.373 56.400 0.115 0.000 0.945 47 E CB 0.718 30.460 29.700 0.071 0.000 0.924 47 E HN 0.555 nan 8.360 nan 0.000 0.467 48 A N 2.872 125.776 122.820 0.140 0.000 2.612 48 A HA 0.571 4.891 4.320 -0.000 0.000 0.293 48 A C -0.956 176.682 177.584 0.090 0.000 1.075 48 A CA -0.686 51.451 52.037 0.167 0.000 0.680 48 A CB 2.318 21.519 19.000 0.335 0.000 1.279 48 A HN 0.410 nan 8.150 nan 0.000 0.411 49 T N 1.951 116.531 114.554 0.044 0.000 2.906 49 T HA 0.694 5.044 4.350 -0.000 0.000 0.302 49 T C -0.387 174.249 174.700 -0.107 0.000 1.002 49 T CA 0.127 62.204 62.100 -0.039 0.000 0.988 49 T CB 1.105 69.971 68.868 -0.004 0.000 0.972 49 T HN 1.247 nan 8.240 nan 0.000 0.447 50 T N -1.052 113.351 114.554 -0.251 0.000 2.865 50 T HA 0.632 4.982 4.350 -0.000 0.000 0.294 50 T C 0.005 174.584 174.700 -0.202 0.000 1.119 50 T CA -1.058 60.875 62.100 -0.279 0.000 1.007 50 T CB 1.243 69.753 68.868 -0.597 0.000 1.225 50 T HN 0.427 nan 8.240 nan 0.000 0.515 51 T N 1.675 116.160 114.554 -0.115 0.000 2.750 51 T HA 0.441 4.791 4.350 -0.000 0.000 0.286 51 T C 0.341 175.025 174.700 -0.027 0.000 0.911 51 T CA -0.694 61.383 62.100 -0.039 0.000 1.130 51 T CB -0.893 67.983 68.868 0.013 0.000 0.873 51 T HN 0.438 nan 8.240 nan 0.000 0.536 52 L N 3.148 124.354 121.223 -0.028 0.000 2.474 52 L HA 0.528 4.868 4.340 -0.000 0.000 0.259 52 L C 0.465 177.384 176.870 0.082 0.000 1.232 52 L CA -0.355 54.463 54.840 -0.037 0.000 0.821 52 L CB -0.208 41.827 42.059 -0.041 0.000 1.108 52 L HN 0.769 nan 8.230 nan 0.000 0.495 53 F N -1.166 118.795 119.950 0.018 0.000 2.613 53 F HA 0.819 5.346 4.527 -0.000 0.000 0.342 53 F C -0.128 175.621 175.800 -0.085 0.000 1.066 53 F CA -1.579 56.404 58.000 -0.029 0.000 1.002 53 F CB 0.931 39.899 39.000 -0.054 0.000 1.319 53 F HN 0.628 nan 8.300 nan 0.000 0.495 54 c N 0.809 119.445 118.600 0.061 0.000 2.848 54 c HA 1.016 5.586 4.570 -0.000 0.000 0.317 54 c C -0.542 173.545 174.090 -0.005 0.000 1.260 54 c CA -0.400 55.806 56.329 -0.206 0.000 1.656 54 c CB 0.804 43.031 42.510 -0.472 0.000 2.174 54 c HN 1.405 nan 8.230 nan 0.000 0.479 55 A N 1.477 124.270 122.820 -0.045 0.000 2.486 55 A HA 0.980 5.300 4.320 -0.000 0.000 0.300 55 A C -0.328 177.295 177.584 0.065 0.000 1.048 55 A CA 0.309 52.359 52.037 0.021 0.000 0.696 55 A CB 1.466 20.495 19.000 0.050 0.000 1.278 55 A HN 2.373 nan 8.150 nan 0.000 0.405 56 S N -0.022 115.706 115.700 0.047 0.000 2.819 56 S HA 0.622 5.092 4.470 -0.000 0.000 0.299 56 S C -1.149 173.480 174.600 0.050 0.000 1.192 56 S CA -0.568 57.683 58.200 0.085 0.000 0.847 56 S CB 1.234 64.462 63.200 0.048 0.000 1.224 56 S HN 0.447 nan 8.310 nan 0.000 0.537 57 D N 1.226 121.653 120.400 0.046 0.000 2.561 57 D HA 0.394 5.033 4.640 -0.000 0.000 0.232 57 D C 0.570 176.866 176.300 -0.006 0.000 1.198 57 D CA 0.017 54.031 54.000 0.023 0.000 0.826 57 D CB 0.125 40.943 40.800 0.030 0.000 0.992 57 D HN 0.773 nan 8.370 nan 0.000 0.490 58 A N 1.262 124.075 122.820 -0.012 0.000 2.567 58 A HA -0.003 4.317 4.320 -0.000 0.000 0.240 58 A C 0.503 178.045 177.584 -0.070 0.000 1.053 58 A CA 0.387 52.401 52.037 -0.037 0.000 0.755 58 A CB 0.222 19.204 19.000 -0.031 0.000 0.978 58 A HN 0.052 nan 8.150 nan 0.000 0.507 59 K N 2.209 122.512 120.400 -0.161 0.000 2.235 59 K HA 0.477 4.797 4.320 -0.000 0.000 0.266 59 K C 0.221 176.650 176.600 -0.286 0.000 0.980 59 K CA -0.093 56.010 56.287 -0.307 0.000 0.849 59 K CB 1.843 33.893 32.500 -0.749 0.000 1.098 59 K HN 0.665 nan 8.250 nan 0.000 0.445 60 A N 3.560 126.341 122.820 -0.065 0.000 2.728 60 A HA 0.075 4.395 4.320 -0.000 0.000 0.258 60 A C -0.042 177.624 177.584 0.137 0.000 1.454 60 A CA 0.068 52.123 52.037 0.030 0.000 1.146 60 A CB -0.979 18.067 19.000 0.077 0.000 0.985 60 A HN 0.892 nan 8.150 nan 0.000 0.603 61 Y N -3.947 116.358 120.300 0.008 0.000 3.024 61 Y HA 0.408 4.958 4.550 -0.000 0.000 0.283 61 Y C -0.656 175.250 175.900 0.009 0.000 1.040 61 Y CA -1.270 56.834 58.100 0.008 0.000 1.283 61 Y CB -0.274 38.188 38.460 0.004 0.000 1.367 61 Y HN 0.162 nan 8.280 nan 0.000 0.589 62 D N 0.993 121.234 120.400 -0.266 0.000 2.278 62 D HA 0.327 4.966 4.640 -0.000 0.000 0.245 62 D C 0.746 177.002 176.300 -0.074 0.000 1.052 62 D CA -0.166 53.726 54.000 -0.181 0.000 0.834 62 D CB 2.447 43.070 40.800 -0.295 0.000 1.194 62 D HN 0.190 nan 8.370 nan 0.000 0.481 63 T N 1.388 115.928 114.554 -0.024 0.000 3.035 63 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 63 T C 0.709 175.404 174.700 -0.008 0.000 1.109 63 T CA 0.320 62.417 62.100 -0.004 0.000 1.119 63 T CB -0.177 68.698 68.868 0.012 0.000 0.900 63 T HN 0.447 nan 8.240 nan 0.000 0.503 64 E N 2.517 122.703 120.200 -0.023 0.000 2.708 64 E HA -0.037 4.313 4.350 -0.000 0.000 0.260 64 E C 1.299 177.892 176.600 -0.013 0.000 0.937 64 E CA 0.087 56.475 56.400 -0.020 0.000 0.953 64 E CB 0.565 30.241 29.700 -0.039 0.000 0.915 64 E HN 0.154 nan 8.360 nan 0.000 0.487 65 V N 2.421 122.319 119.914 -0.028 0.000 2.427 65 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 65 V C 1.722 177.762 176.094 -0.091 0.000 1.051 65 V CA 2.014 64.278 62.300 -0.060 0.000 1.048 65 V CB -1.105 30.662 31.823 -0.093 0.000 0.666 65 V HN 0.795 nan 8.190 nan 0.000 0.456 66 H N 1.412 120.387 119.070 -0.159 0.000 2.353 66 H HA -0.043 4.513 4.556 -0.000 0.000 0.300 66 H C 2.372 177.731 175.328 0.052 0.000 1.090 66 H CA 2.357 58.344 56.048 -0.101 0.000 1.327 66 H CB -0.280 29.342 29.762 -0.233 0.000 1.383 66 H HN 0.451 nan 8.280 nan 0.000 0.508 67 N N -0.318 118.444 118.700 0.102 0.000 2.142 67 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 67 N C 1.906 177.443 175.510 0.045 0.000 1.023 67 N CA 0.963 54.036 53.050 0.038 0.000 0.852 67 N CB -0.381 38.070 38.487 -0.059 0.000 0.998 67 N HN 0.077 nan 8.380 nan 0.000 0.424 68 V N -0.211 119.734 119.914 0.051 0.000 2.332 68 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 68 V C 1.877 178.040 176.094 0.116 0.000 1.055 68 V CA 1.529 63.863 62.300 0.056 0.000 1.038 68 V CB -0.546 31.305 31.823 0.047 0.000 0.651 68 V HN 0.489 nan 8.190 nan 0.000 0.450 69 W N 0.877 122.165 121.300 -0.020 0.000 2.378 69 W HA -0.109 4.551 4.660 -0.000 0.000 0.313 69 W C 2.461 179.004 176.519 0.041 0.000 1.197 69 W CA 1.906 59.259 57.345 0.015 0.000 1.304 69 W CB -0.421 29.025 29.460 -0.022 0.000 1.148 69 W HN 0.160 nan 8.180 nan 0.000 0.494 70 A N -0.201 122.706 122.820 0.145 0.000 1.940 70 A HA -0.206 4.113 4.320 -0.000 0.000 0.219 70 A C 1.887 179.359 177.584 -0.187 0.000 1.176 70 A CA 2.393 54.362 52.037 -0.114 0.000 0.631 70 A CB -1.436 17.633 19.000 0.116 0.000 0.814 70 A HN 0.328 nan 8.150 nan 0.000 0.446 71 T N -1.407 113.099 114.554 -0.080 0.000 2.759 71 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 71 T C 1.835 176.479 174.700 -0.093 0.000 1.042 71 T CA 1.626 63.685 62.100 -0.068 0.000 1.140 71 T CB -0.371 68.483 68.868 -0.023 0.000 0.864 71 T HN 0.747 nan 8.240 nan 0.000 0.455 72 H N -0.276 118.661 119.070 -0.222 0.000 2.562 72 H HA 0.403 4.959 4.556 -0.000 0.000 0.267 72 H C 1.568 176.701 175.328 -0.325 0.000 0.959 72 H CA 0.998 56.910 56.048 -0.227 0.000 1.204 72 H CB 0.238 29.892 29.762 -0.180 0.000 1.430 72 H HN 0.334 nan 8.280 nan 0.000 0.545 73 A N -0.071 122.401 122.820 -0.580 0.000 2.545 73 A HA 0.336 4.656 4.320 -0.000 0.000 0.263 73 A C 0.036 177.304 177.584 -0.527 0.000 1.202 73 A CA -0.218 51.402 52.037 -0.695 0.000 0.959 73 A CB -0.064 18.266 19.000 -1.116 0.000 1.124 73 A HN 0.279 nan 8.150 nan 0.000 0.543 74 c N -1.133 117.233 118.600 -0.390 0.000 2.898 74 c HA 0.619 5.189 4.570 -0.000 0.000 0.304 74 c C 0.284 174.284 174.090 -0.151 0.000 1.237 74 c CA -0.787 55.402 56.329 -0.233 0.000 1.529 74 c CB 1.615 44.005 42.510 -0.201 0.000 2.021 74 c HN 0.231 nan 8.230 nan 0.000 0.474 75 V N 3.611 123.476 119.914 -0.082 0.000 2.834 75 V HA 0.263 4.383 4.120 -0.000 0.000 0.301 75 V C -1.827 174.241 176.094 -0.044 0.000 1.066 75 V CA -0.948 61.309 62.300 -0.072 0.000 1.052 75 V CB 1.082 32.874 31.823 -0.053 0.000 1.021 75 V HN 0.753 nan 8.190 nan 0.000 0.480 76 P HA 0.054 nan 4.420 nan 0.000 0.271 76 P C 0.175 177.460 177.300 -0.026 0.000 1.233 76 P CA 0.059 63.141 63.100 -0.030 0.000 0.795 76 P CB 0.080 31.761 31.700 -0.030 0.000 0.936 77 T N 0.294 114.833 114.554 -0.026 0.000 2.616 77 T HA -0.041 4.309 4.350 -0.000 0.000 0.327 77 T C 1.070 175.727 174.700 -0.072 0.000 1.049 77 T CA -0.079 61.990 62.100 -0.053 0.000 1.022 77 T CB -0.086 68.761 68.868 -0.035 0.000 1.009 77 T HN 0.398 nan 8.240 nan 0.000 0.535 78 D N 1.407 121.733 120.400 -0.124 0.000 2.087 78 D HA -0.069 4.571 4.640 -0.000 0.000 0.192 78 D C -0.306 175.964 176.300 -0.050 0.000 0.993 78 D CA 1.506 55.445 54.000 -0.103 0.000 0.828 78 D CB -1.494 39.219 40.800 -0.144 0.000 0.968 78 D HN 0.460 nan 8.370 nan 0.000 0.448 79 P HA 0.107 nan 4.420 nan 0.000 0.221 79 P C 0.078 177.354 177.300 -0.040 0.000 1.152 79 P CA 0.603 63.676 63.100 -0.046 0.000 0.851 79 P CB 0.483 32.168 31.700 -0.024 0.000 0.833 80 N N -0.302 118.383 118.700 -0.026 0.000 2.646 80 N HA 0.253 4.993 4.740 -0.000 0.000 0.303 80 N C -2.410 173.094 175.510 -0.010 0.000 1.921 80 N CA -0.750 52.291 53.050 -0.016 0.000 0.872 80 N CB 0.354 38.836 38.487 -0.007 0.000 1.327 80 N HN 0.165 nan 8.380 nan 0.000 0.492 81 P HA 0.384 nan 4.420 nan 0.000 0.297 81 P C 0.140 177.441 177.300 0.002 0.000 1.303 81 P CA -0.305 62.793 63.100 -0.003 0.000 0.753 81 P CB 1.150 32.849 31.700 -0.003 0.000 1.281 82 Q N -1.024 118.781 119.800 0.008 0.000 3.019 82 Q HA 0.347 4.687 4.340 -0.000 0.000 0.337 82 Q C -0.845 175.164 176.000 0.015 0.000 0.900 82 Q CA -0.603 55.207 55.803 0.011 0.000 0.800 82 Q CB 1.159 29.902 28.738 0.009 0.000 1.437 82 Q HN 0.617 nan 8.270 nan 0.000 0.505 83 E N -0.426 119.781 120.200 0.012 0.000 2.238 83 E HA 0.593 4.943 4.350 -0.000 0.000 0.267 83 E C -0.889 175.711 176.600 -0.001 0.000 0.887 83 E CA -0.895 55.510 56.400 0.008 0.000 0.769 83 E CB 1.893 31.599 29.700 0.009 0.000 1.187 83 E HN 0.112 nan 8.360 nan 0.000 0.416 84 V N 2.987 122.897 119.914 -0.007 0.000 2.304 84 V HA 0.096 4.215 4.120 -0.000 0.000 0.262 84 V C 0.170 176.250 176.094 -0.023 0.000 1.061 84 V CA -0.785 61.510 62.300 -0.009 0.000 0.872 84 V CB 0.692 32.513 31.823 -0.005 0.000 1.077 84 V HN 0.544 nan 8.190 nan 0.000 0.480 85 V N 6.562 126.465 119.914 -0.020 0.000 2.763 85 V HA 0.128 4.248 4.120 -0.000 0.000 0.306 85 V C 0.295 176.375 176.094 -0.023 0.000 1.059 85 V CA 0.087 62.370 62.300 -0.029 0.000 1.138 85 V CB 0.753 32.562 31.823 -0.023 0.000 0.940 85 V HN 0.591 nan 8.190 nan 0.000 0.489 86 L N 4.870 126.074 121.223 -0.031 0.000 2.317 86 L HA 0.626 4.966 4.340 -0.000 0.000 0.281 86 L C -0.289 176.581 176.870 -0.000 0.000 1.024 86 L CA -0.845 53.989 54.840 -0.010 0.000 0.810 86 L CB 1.889 43.934 42.059 -0.023 0.000 1.240 86 L HN 0.614 nan 8.230 nan 0.000 0.427 87 V N -0.191 119.731 119.914 0.014 0.000 2.427 87 V HA 0.488 4.608 4.120 -0.000 0.000 0.286 87 V C -0.086 176.017 176.094 0.015 0.000 1.034 87 V CA -0.722 61.582 62.300 0.007 0.000 0.893 87 V CB 1.141 32.965 31.823 0.003 0.000 0.982 87 V HN 0.924 nan 8.190 nan 0.000 0.452 88 N N 1.446 120.152 118.700 0.009 0.000 2.727 88 N HA -0.125 4.615 4.740 -0.000 0.000 0.251 88 N C -0.692 174.840 175.510 0.036 0.000 1.040 88 N CA 1.057 54.115 53.050 0.013 0.000 0.712 88 N CB -1.108 37.380 38.487 0.003 0.000 0.912 88 N HN 0.860 nan 8.380 nan 0.000 0.545 89 V N -0.130 119.813 119.914 0.049 0.000 2.577 89 V HA 0.466 4.585 4.120 -0.000 0.000 0.303 89 V C 0.336 176.482 176.094 0.086 0.000 1.042 89 V CA -0.635 61.722 62.300 0.094 0.000 0.872 89 V CB 2.377 34.288 31.823 0.147 0.000 0.998 89 V HN 0.205 nan 8.190 nan 0.000 0.423 90 T N 4.137 118.752 114.554 0.102 0.000 2.767 90 T HA 0.541 4.891 4.350 -0.000 0.000 0.284 90 T C -0.549 174.241 174.700 0.150 0.000 0.973 90 T CA -0.218 61.943 62.100 0.101 0.000 0.996 90 T CB 1.252 70.170 68.868 0.082 0.000 0.927 90 T HN 0.743 nan 8.240 nan 0.000 0.456 91 E N 3.163 123.464 120.200 0.168 0.000 2.234 91 E HA 0.349 4.699 4.350 -0.000 0.000 0.266 91 E C -0.774 175.974 176.600 0.247 0.000 0.877 91 E CA -0.789 55.729 56.400 0.197 0.000 0.758 91 E CB 0.713 30.519 29.700 0.176 0.000 1.170 91 E HN 0.340 nan 8.360 nan 0.000 0.415 92 N N 3.445 122.242 118.700 0.162 0.000 2.497 92 N HA 0.276 5.016 4.740 -0.000 0.000 0.271 92 N C -0.952 174.633 175.510 0.124 0.000 1.142 92 N CA 0.279 53.449 53.050 0.201 0.000 0.965 92 N CB 0.259 38.828 38.487 0.135 0.000 1.077 92 N HN 0.348 nan 8.380 nan 0.000 0.462 93 F N 0.436 120.515 119.950 0.214 0.000 2.618 93 F HA 0.427 4.954 4.527 -0.000 0.000 0.332 93 F C 0.515 176.432 175.800 0.195 0.000 1.061 93 F CA -0.902 57.230 58.000 0.221 0.000 0.974 93 F CB 1.617 40.832 39.000 0.358 0.000 1.310 93 F HN 0.261 nan 8.300 nan 0.000 0.491 94 N N 1.587 120.492 118.700 0.343 0.000 2.976 94 N HA 0.117 4.857 4.740 -0.000 0.000 0.220 94 N C 0.258 175.862 175.510 0.158 0.000 1.428 94 N CA -0.200 52.992 53.050 0.237 0.000 0.748 94 N CB 0.630 39.237 38.487 0.199 0.000 1.484 94 N HN 0.710 nan 8.380 nan 0.000 0.578 95 M N -0.772 118.843 119.600 0.026 0.000 2.195 95 M HA -0.008 4.472 4.480 -0.000 0.000 0.260 95 M C 0.629 176.803 176.300 -0.210 0.000 1.066 95 M CA 1.475 56.680 55.300 -0.159 0.000 1.089 95 M CB -0.295 32.049 32.600 -0.428 0.000 1.377 95 M HN 0.336 nan 8.290 nan 0.000 0.411 96 W N 1.297 122.659 121.300 0.103 0.000 2.518 96 W HA 0.109 4.769 4.660 -0.000 0.000 0.273 96 W C 1.772 178.329 176.519 0.063 0.000 1.247 96 W CA 0.253 57.638 57.345 0.066 0.000 1.288 96 W CB 0.175 29.658 29.460 0.038 0.000 1.107 96 W HN 0.140 nan 8.180 nan 0.000 0.586 97 K N 0.999 121.550 120.400 0.251 0.000 2.832 97 K HA 0.069 4.389 4.320 -0.000 0.000 0.211 97 K C -0.197 176.474 176.600 0.118 0.000 1.112 97 K CA -0.245 56.142 56.287 0.167 0.000 1.108 97 K CB -0.413 32.177 32.500 0.150 0.000 0.899 97 K HN -0.226 nan 8.250 nan 0.000 0.464 98 N N 1.035 119.801 118.700 0.109 0.000 2.408 98 N HA -0.007 4.733 4.740 -0.000 0.000 0.257 98 N C -0.053 175.494 175.510 0.062 0.000 1.064 98 N CA 0.073 53.172 53.050 0.082 0.000 0.952 98 N CB 1.508 40.048 38.487 0.088 0.000 1.093 98 N HN 0.119 nan 8.380 nan 0.000 0.490 99 D N 2.923 123.347 120.400 0.041 0.000 2.363 99 D HA 0.055 4.695 4.640 -0.000 0.000 0.226 99 D C 1.441 177.735 176.300 -0.010 0.000 1.020 99 D CA 0.752 54.766 54.000 0.023 0.000 0.892 99 D CB 0.205 41.015 40.800 0.017 0.000 0.900 99 D HN 0.623 nan 8.370 nan 0.000 0.531 100 M N -0.953 118.631 119.600 -0.027 0.000 2.175 100 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 100 M C 1.993 178.211 176.300 -0.136 0.000 1.063 100 M CA 0.720 55.955 55.300 -0.109 0.000 1.119 100 M CB 0.032 32.563 32.600 -0.115 0.000 1.377 100 M HN -0.008 nan 8.290 nan 0.000 0.415 101 V N 0.380 120.280 119.914 -0.024 0.000 2.255 101 V HA -0.256 3.863 4.120 -0.000 0.000 0.247 101 V C 2.074 178.223 176.094 0.093 0.000 1.051 101 V CA 2.039 64.380 62.300 0.069 0.000 1.018 101 V CB -0.738 31.189 31.823 0.173 0.000 0.641 101 V HN 0.384 nan 8.190 nan 0.000 0.445 102 E N -0.275 119.973 120.200 0.079 0.000 2.219 102 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 102 E C 2.301 178.953 176.600 0.087 0.000 0.998 102 E CA 1.231 57.686 56.400 0.091 0.000 0.818 102 E CB -0.204 29.529 29.700 0.056 0.000 0.741 102 E HN 0.644 nan 8.360 nan 0.000 0.477 103 Q N -0.709 119.096 119.800 0.009 0.000 2.008 103 Q HA -0.047 4.293 4.340 -0.000 0.000 0.196 103 Q C 2.274 178.258 176.000 -0.028 0.000 0.973 103 Q CA 1.142 56.944 55.803 -0.002 0.000 0.826 103 Q CB -0.216 28.495 28.738 -0.046 0.000 0.894 103 Q HN 0.348 nan 8.270 nan 0.000 0.439 104 M N 0.081 119.545 119.600 -0.227 0.000 2.144 104 M HA -0.274 4.206 4.480 -0.000 0.000 0.260 104 M C 2.018 178.141 176.300 -0.295 0.000 1.067 104 M CA 1.868 56.956 55.300 -0.354 0.000 1.095 104 M CB -0.206 31.972 32.600 -0.703 0.000 1.365 104 M HN 0.261 nan 8.290 nan 0.000 0.406 105 H N 0.206 119.128 119.070 -0.246 0.000 2.321 105 H HA -0.139 4.417 4.556 -0.000 0.000 0.300 105 H C 1.856 177.247 175.328 0.105 0.000 1.087 105 H CA 2.248 58.314 56.048 0.029 0.000 1.319 105 H CB 0.123 30.081 29.762 0.327 0.000 1.379 105 H HN 0.385 nan 8.280 nan 0.000 0.501 106 E N 0.187 120.496 120.200 0.182 0.000 2.150 106 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 106 E C 1.681 178.331 176.600 0.083 0.000 0.985 106 E CA 0.880 57.358 56.400 0.131 0.000 0.814 106 E CB -0.060 29.723 29.700 0.138 0.000 0.752 106 E HN 0.627 nan 8.360 nan 0.000 0.466 107 D N 0.591 121.042 120.400 0.084 0.000 2.097 107 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 107 D C 2.115 178.375 176.300 -0.067 0.000 0.984 107 D CA 0.685 54.755 54.000 0.118 0.000 0.826 107 D CB -0.224 40.726 40.800 0.249 0.000 0.973 107 D HN 0.207 nan 8.370 nan 0.000 0.460 108 I N 0.634 121.140 120.570 -0.107 0.000 2.315 108 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 108 I C 2.384 178.597 176.117 0.160 0.000 1.117 108 I CA 0.568 61.840 61.300 -0.046 0.000 1.404 108 I CB -0.136 37.811 38.000 -0.088 0.000 1.071 108 I HN -0.028 nan 8.210 nan 0.000 0.419 109 I N 0.171 120.776 120.570 0.057 0.000 2.208 109 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 109 I C 2.696 178.824 176.117 0.018 0.000 1.097 109 I CA 1.551 62.792 61.300 -0.097 0.000 1.363 109 I CB -0.245 37.628 38.000 -0.212 0.000 1.051 109 I HN 0.199 nan 8.210 nan 0.000 0.413 110 S N 0.445 116.168 115.700 0.039 0.000 2.481 110 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 110 S C 1.808 176.432 174.600 0.040 0.000 0.996 110 S CA 0.538 58.784 58.200 0.077 0.000 0.942 110 S CB -0.149 63.134 63.200 0.140 0.000 0.768 110 S HN 0.313 nan 8.310 nan 0.000 0.520 111 L N 0.018 121.189 121.223 -0.086 0.000 2.131 111 L HA 0.238 4.577 4.340 -0.000 0.000 0.206 111 L C 1.573 178.472 176.870 0.047 0.000 1.087 111 L CA 1.663 56.319 54.840 -0.306 0.000 0.767 111 L CB -0.878 40.814 42.059 -0.612 0.000 0.917 111 L HN 0.402 nan 8.230 nan 0.000 0.441 112 W N 0.149 121.452 121.300 0.004 0.000 2.453 112 W HA -0.028 4.632 4.660 -0.000 0.000 0.289 112 W C 2.074 178.651 176.519 0.097 0.000 1.215 112 W CA 0.824 58.254 57.345 0.141 0.000 1.297 112 W CB -0.625 29.011 29.460 0.294 0.000 1.113 112 W HN 0.172 nan 8.180 nan 0.000 0.551 113 D N -0.499 120.060 120.400 0.264 0.000 2.350 113 D HA -0.142 4.498 4.640 -0.000 0.000 0.216 113 D C 1.827 178.203 176.300 0.128 0.000 0.968 113 D CA 1.202 55.298 54.000 0.160 0.000 0.894 113 D CB -0.300 40.555 40.800 0.092 0.000 0.909 113 D HN 0.485 nan 8.370 nan 0.000 0.520 114 Q N -1.925 117.948 119.800 0.122 0.000 2.140 114 Q HA 0.287 4.627 4.340 -0.000 0.000 0.227 114 Q C 1.070 177.117 176.000 0.078 0.000 0.798 114 Q CA -0.045 55.815 55.803 0.096 0.000 0.987 114 Q CB 0.713 29.515 28.738 0.106 0.000 1.161 114 Q HN -0.121 nan 8.270 nan 0.000 0.480 115 S N 0.675 116.415 115.700 0.066 0.000 2.694 115 S HA 0.298 4.768 4.470 -0.000 0.000 0.225 115 S C 0.575 175.197 174.600 0.037 0.000 1.012 115 S CA -0.185 58.033 58.200 0.031 0.000 0.896 115 S CB 0.274 63.451 63.200 -0.038 0.000 0.838 115 S HN 0.247 nan 8.310 nan 0.000 0.604 116 L N 3.616 124.848 121.223 0.015 0.000 2.401 116 L HA 0.226 4.566 4.340 -0.000 0.000 0.283 116 L C -0.471 176.562 176.870 0.273 0.000 1.151 116 L CA -0.131 54.729 54.840 0.034 0.000 0.942 116 L CB 0.126 42.084 42.059 -0.168 0.000 1.283 116 L HN 0.020 nan 8.230 nan 0.000 0.442 117 K N 4.219 124.759 120.400 0.233 0.000 2.310 117 K HA 0.328 4.648 4.320 -0.000 0.000 0.290 117 K C -2.395 174.354 176.600 0.248 0.000 1.077 117 K CA -1.782 54.628 56.287 0.206 0.000 0.922 117 K CB 0.976 33.546 32.500 0.117 0.000 1.057 117 K HN 0.148 nan 8.250 nan 0.000 0.479 118 P HA 0.169 nan 4.420 nan 0.000 0.279 118 P C 0.481 177.660 177.300 -0.201 0.000 1.239 118 P CA -0.456 62.380 63.100 -0.440 0.000 0.789 118 P CB 0.734 32.062 31.700 -0.621 0.000 0.933 119 c N 1.718 120.206 118.600 -0.187 0.000 2.432 119 c HA 0.012 4.582 4.570 -0.000 0.000 0.277 119 c C 1.134 175.165 174.090 -0.098 0.000 1.249 119 c CA 0.459 56.738 56.329 -0.083 0.000 1.725 119 c CB -0.529 41.954 42.510 -0.044 0.000 2.028 119 c HN 0.332 nan 8.230 nan 0.000 0.477 120 V N 0.815 120.641 119.914 -0.146 0.000 2.588 120 V HA 0.418 4.538 4.120 -0.000 0.000 0.304 120 V C -0.488 175.518 176.094 -0.146 0.000 1.042 120 V CA -0.529 61.701 62.300 -0.116 0.000 0.877 120 V CB 1.829 33.599 31.823 -0.089 0.000 0.996 120 V HN 0.295 nan 8.190 nan 0.000 0.425 121 K N 4.319 124.656 120.400 -0.104 0.000 2.345 121 K HA 0.727 5.047 4.320 -0.000 0.000 0.255 121 K C -1.597 174.960 176.600 -0.072 0.000 0.934 121 K CA -0.636 55.593 56.287 -0.097 0.000 0.801 121 K CB 1.497 33.952 32.500 -0.075 0.000 1.137 121 K HN 0.614 nan 8.250 nan 0.000 0.424 122 L N 4.429 125.609 121.223 -0.072 0.000 2.353 122 L HA 0.415 4.755 4.340 -0.000 0.000 0.270 122 L C -0.804 176.034 176.870 -0.054 0.000 1.003 122 L CA -0.661 54.145 54.840 -0.058 0.000 0.862 122 L CB 1.600 43.623 42.059 -0.059 0.000 1.221 122 L HN 0.739 nan 8.230 nan 0.000 0.430 123 T N -0.658 113.869 114.554 -0.045 0.000 2.971 123 T HA 0.757 5.107 4.350 -0.000 0.000 0.304 123 T C 0.157 174.838 174.700 -0.033 0.000 1.038 123 T CA -0.214 61.861 62.100 -0.042 0.000 1.007 123 T CB 2.039 70.881 68.868 -0.044 0.000 1.055 123 T HN 0.914 nan 8.240 nan 0.000 0.451 199 S N -0.441 115.243 115.700 -0.026 0.000 2.569 199 S HA 0.797 5.267 4.470 -0.000 0.000 0.280 199 S C -0.900 173.682 174.600 -0.029 0.000 1.111 199 S CA -0.445 57.740 58.200 -0.024 0.000 0.887 199 S CB 2.191 65.378 63.200 -0.022 0.000 1.095 199 S HN 0.535 nan 8.310 nan 0.000 0.476 200 V N 4.641 124.538 119.914 -0.027 0.000 2.487 200 V HA 0.597 4.716 4.120 -0.000 0.000 0.298 200 V C -0.736 175.341 176.094 -0.029 0.000 1.028 200 V CA -0.526 61.755 62.300 -0.032 0.000 0.860 200 V CB 1.346 33.152 31.823 -0.030 0.000 0.991 200 V HN 0.796 nan 8.190 nan 0.000 0.427 201 I N 4.245 124.794 120.570 -0.035 0.000 2.447 201 I HA 0.487 4.657 4.170 -0.000 0.000 0.287 201 I C -0.045 176.051 176.117 -0.036 0.000 1.023 201 I CA -0.360 60.922 61.300 -0.031 0.000 1.083 201 I CB 2.381 40.364 38.000 -0.029 0.000 1.245 201 I HN 0.684 nan 8.210 nan 0.000 0.434 202 T N 3.244 117.782 114.554 -0.027 0.000 2.779 202 T HA 0.719 5.069 4.350 -0.000 0.000 0.280 202 T C -0.628 174.062 174.700 -0.017 0.000 0.987 202 T CA -0.720 61.364 62.100 -0.026 0.000 0.966 202 T CB 1.713 70.569 68.868 -0.021 0.000 0.933 202 T HN 0.722 nan 8.240 nan 0.000 0.442 203 Q N 1.676 121.467 119.800 -0.016 0.000 2.590 203 Q HA 0.681 5.021 4.340 -0.000 0.000 0.295 203 Q C -1.093 174.909 176.000 0.003 0.000 0.973 203 Q CA -1.606 54.195 55.803 -0.004 0.000 0.768 203 Q CB 1.523 30.262 28.738 0.000 0.000 1.479 203 Q HN 0.853 nan 8.270 nan 0.000 0.419 204 A N 0.450 123.278 122.820 0.013 0.000 2.531 204 A HA 0.354 4.674 4.320 -0.000 0.000 0.236 204 A C 0.502 178.108 177.584 0.036 0.000 1.062 204 A CA 0.250 52.301 52.037 0.023 0.000 0.760 204 A CB -0.463 18.552 19.000 0.024 0.000 0.995 204 A HN 1.034 nan 8.150 nan 0.000 0.501 205 c N 0.811 119.440 118.600 0.048 0.000 3.401 205 c HA 0.551 5.121 4.570 -0.000 0.000 0.204 205 c C -2.589 171.555 174.090 0.089 0.000 1.522 205 c CA -2.138 54.242 56.329 0.085 0.000 1.409 205 c CB -1.086 41.480 42.510 0.093 0.000 1.967 205 c HN 0.636 nan 8.230 nan 0.000 0.496 206 P HA 0.193 nan 4.420 nan 0.000 0.268 206 P C 0.130 177.463 177.300 0.054 0.000 1.205 206 P CA 0.653 63.785 63.100 0.053 0.000 0.771 206 P CB 0.740 32.465 31.700 0.042 0.000 0.858 207 K N 1.284 121.709 120.400 0.041 0.000 2.276 207 K HA 0.469 4.789 4.320 -0.000 0.000 0.259 207 K C -0.128 176.483 176.600 0.018 0.000 1.001 207 K CA -0.231 56.071 56.287 0.025 0.000 0.927 207 K CB 0.813 33.325 32.500 0.020 0.000 0.969 207 K HN 0.289 nan 8.250 nan 0.000 0.490 208 V N 0.135 120.052 119.914 0.006 0.000 3.225 208 V HA 0.174 4.294 4.120 -0.000 0.000 0.293 208 V C -0.896 175.217 176.094 0.031 0.000 1.405 208 V CA -0.698 61.614 62.300 0.020 0.000 1.038 208 V CB 2.533 34.375 31.823 0.031 0.000 1.123 208 V HN 0.855 nan 8.190 nan 0.000 0.447 209 S N 3.216 118.940 115.700 0.040 0.000 2.572 209 S HA 0.563 5.033 4.470 -0.000 0.000 0.279 209 S C -0.803 173.870 174.600 0.123 0.000 1.341 209 S CA 0.172 58.403 58.200 0.052 0.000 1.043 209 S CB 0.439 63.652 63.200 0.021 0.000 0.887 209 S HN 0.686 nan 8.310 nan 0.000 0.516 210 F N 1.875 121.779 119.950 -0.077 0.000 3.228 210 F HA 0.303 4.829 4.527 -0.000 0.000 0.385 210 F C -0.570 175.192 175.800 -0.064 0.000 1.247 210 F CA -0.144 57.815 58.000 -0.068 0.000 1.211 210 F CB 0.759 39.638 39.000 -0.203 0.000 1.719 210 F HN 0.605 nan 8.300 nan 0.000 0.630 211 E N 6.746 126.816 120.200 -0.217 0.000 2.241 211 E HA 0.440 4.790 4.350 -0.000 0.000 0.263 211 E C -2.787 173.428 176.600 -0.642 0.000 0.882 211 E CA -2.642 53.587 56.400 -0.285 0.000 0.769 211 E CB 2.333 31.934 29.700 -0.165 0.000 1.185 211 E HN 0.145 nan 8.360 nan 0.000 0.415 212 P HA -0.009 nan 4.420 nan 0.000 0.264 212 P C -0.802 176.170 177.300 -0.546 0.000 1.183 212 P CA 0.270 62.870 63.100 -0.833 0.000 0.763 212 P CB 0.287 31.773 31.700 -0.357 0.000 0.807 213 I N 5.051 125.322 120.570 -0.500 0.000 2.465 213 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 213 I C -2.309 173.731 176.117 -0.130 0.000 1.014 213 I CA -3.512 57.655 61.300 -0.221 0.000 1.093 213 I CB 1.383 39.309 38.000 -0.123 0.000 1.267 213 I HN 0.080 nan 8.210 nan 0.000 0.431 214 P HA 0.207 nan 4.420 nan 0.000 0.260 214 P C -0.521 176.689 177.300 -0.150 0.000 1.185 214 P CA 0.523 63.547 63.100 -0.126 0.000 0.763 214 P CB 0.365 32.007 31.700 -0.097 0.000 0.776 215 I N 4.020 124.466 120.570 -0.206 0.000 2.466 215 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 215 I C 0.442 176.359 176.117 -0.333 0.000 1.026 215 I CA -0.760 60.426 61.300 -0.190 0.000 1.078 215 I CB 1.417 39.364 38.000 -0.089 0.000 1.249 215 I HN 0.338 nan 8.210 nan 0.000 0.429 216 H N 5.825 124.784 119.070 -0.184 0.000 2.467 216 H HA 0.323 4.878 4.556 -0.000 0.000 0.331 216 H C -1.357 173.764 175.328 -0.345 0.000 1.120 216 H CA -0.298 55.632 56.048 -0.196 0.000 1.270 216 H CB 1.543 31.228 29.762 -0.128 0.000 1.466 216 H HN 0.393 nan 8.280 nan 0.000 0.504 217 Y N 1.062 121.270 120.300 -0.153 0.000 2.331 217 Y HA 0.221 4.770 4.550 -0.000 0.000 0.338 217 Y C 0.085 175.795 175.900 -0.316 0.000 0.992 217 Y CA -0.331 57.631 58.100 -0.231 0.000 1.121 217 Y CB 1.194 39.505 38.460 -0.248 0.000 1.184 217 Y HN 0.533 nan 8.280 nan 0.000 0.469 218 c N 1.965 120.318 118.600 -0.411 0.000 2.562 218 c HA 0.904 5.474 4.570 -0.000 0.000 0.332 218 c C 0.283 173.963 174.090 -0.684 0.000 1.201 218 c CA -1.196 54.764 56.329 -0.616 0.000 1.803 218 c CB 0.987 42.920 42.510 -0.962 0.000 2.328 218 c HN 0.916 nan 8.230 nan 0.000 0.500 219 A N 2.468 125.067 122.820 -0.368 0.000 2.310 219 A HA 0.768 5.088 4.320 -0.000 0.000 0.299 219 A C -2.249 175.361 177.584 0.045 0.000 1.147 219 A CA -0.874 51.072 52.037 -0.150 0.000 0.818 219 A CB -0.052 18.970 19.000 0.036 0.000 1.096 219 A HN 0.704 nan 8.150 nan 0.000 0.495 220 P HA 0.271 nan 4.420 nan 0.000 0.335 220 P C -0.156 177.385 177.300 0.402 0.000 1.379 220 P CA 0.081 63.446 63.100 0.441 0.000 0.794 220 P CB 0.283 32.172 31.700 0.315 0.000 1.849 221 A N -0.780 122.241 122.820 0.335 0.000 2.309 221 A HA 0.514 4.834 4.320 -0.000 0.000 0.290 221 A C 1.027 178.714 177.584 0.173 0.000 1.206 221 A CA 0.307 52.473 52.037 0.215 0.000 0.850 221 A CB -1.176 17.903 19.000 0.132 0.000 1.118 221 A HN 0.778 nan 8.150 nan 0.000 0.523 222 G N 0.944 109.772 108.800 0.047 0.000 2.157 222 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.239 222 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.239 222 G C -0.188 174.476 174.900 -0.393 0.000 0.982 222 G CA 0.346 45.341 45.100 -0.175 0.000 0.650 222 G HN 0.678 nan 8.290 nan 0.000 0.527 223 F N 0.505 120.490 119.950 0.057 0.000 2.561 223 F HA 0.845 5.372 4.527 -0.000 0.000 0.321 223 F C 0.487 176.303 175.800 0.026 0.000 1.065 223 F CA -0.177 57.849 58.000 0.044 0.000 0.934 223 F CB 2.186 41.211 39.000 0.040 0.000 1.215 223 F HN 0.343 nan 8.300 nan 0.000 0.471 224 A N 1.747 124.687 122.820 0.200 0.000 2.483 224 A HA 0.943 5.263 4.320 -0.000 0.000 0.286 224 A C -1.421 176.205 177.584 0.069 0.000 1.207 224 A CA -0.742 51.349 52.037 0.090 0.000 0.764 224 A CB 1.484 20.494 19.000 0.017 0.000 1.341 224 A HN 0.649 nan 8.150 nan 0.000 0.428 225 I N 0.855 121.446 120.570 0.036 0.000 2.497 225 I HA 0.246 4.416 4.170 -0.000 0.000 0.284 225 I C -1.288 174.863 176.117 0.056 0.000 1.060 225 I CA -0.467 60.870 61.300 0.061 0.000 1.071 225 I CB 1.546 39.603 38.000 0.096 0.000 1.216 225 I HN 0.384 nan 8.210 nan 0.000 0.442 226 L N 6.143 127.372 121.223 0.011 0.000 2.452 226 L HA 0.339 4.679 4.340 -0.000 0.000 0.267 226 L C 0.219 177.170 176.870 0.134 0.000 1.188 226 L CA 0.365 55.212 54.840 0.011 0.000 0.821 226 L CB 0.316 42.328 42.059 -0.077 0.000 1.102 226 L HN 0.510 nan 8.230 nan 0.000 0.470 227 K N 1.992 122.403 120.400 0.019 0.000 2.637 227 K HA 0.266 4.586 4.320 -0.000 0.000 0.248 227 K C -1.394 175.001 176.600 -0.342 0.000 0.971 227 K CA -0.547 55.604 56.287 -0.227 0.000 0.858 227 K CB 1.285 33.641 32.500 -0.240 0.000 1.170 227 K HN 0.659 nan 8.250 nan 0.000 0.443 228 c N 4.971 123.167 118.600 -0.672 0.000 2.619 228 c HA 0.236 4.806 4.570 -0.000 0.000 0.389 228 c C 0.676 174.448 174.090 -0.529 0.000 1.314 228 c CA -0.304 55.558 56.329 -0.778 0.000 1.678 228 c CB -1.197 40.437 42.510 -1.461 0.000 2.398 228 c HN 0.817 nan 8.230 nan 0.000 0.582 229 N N 3.489 121.978 118.700 -0.352 0.000 2.322 229 N HA 0.019 4.759 4.740 -0.000 0.000 0.194 229 N C 0.070 175.470 175.510 -0.183 0.000 1.126 229 N CA 0.205 53.116 53.050 -0.231 0.000 0.845 229 N CB -0.358 38.035 38.487 -0.158 0.000 0.976 229 N HN 0.748 nan 8.380 nan 0.000 0.475 230 N N 1.829 120.388 118.700 -0.235 0.000 2.440 230 N HA -0.024 4.716 4.740 -0.000 0.000 0.265 230 N C 0.910 176.395 175.510 -0.042 0.000 1.239 230 N CA 0.349 53.317 53.050 -0.136 0.000 0.909 230 N CB 0.630 39.016 38.487 -0.167 0.000 1.066 230 N HN 0.040 nan 8.380 nan 0.000 0.474 231 K N 1.391 121.780 120.400 -0.018 0.000 2.147 231 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 231 K C -0.019 176.612 176.600 0.052 0.000 1.049 231 K CA 1.084 57.377 56.287 0.009 0.000 0.936 231 K CB 0.109 32.606 32.500 -0.005 0.000 0.722 231 K HN 0.497 nan 8.250 nan 0.000 0.446 232 T N 1.312 115.907 114.554 0.068 0.000 3.250 232 T HA 0.235 4.585 4.350 -0.000 0.000 0.391 232 T C -1.296 173.511 174.700 0.178 0.000 1.502 232 T CA -0.466 61.685 62.100 0.086 0.000 1.320 232 T CB -0.033 68.857 68.868 0.037 0.000 1.102 232 T HN -0.048 nan 8.240 nan 0.000 0.610 233 F N 3.636 123.600 119.950 0.024 0.000 2.458 233 F HA 0.414 4.941 4.527 -0.000 0.000 0.336 233 F C 0.925 176.758 175.800 0.054 0.000 1.114 233 F CA -2.058 55.964 58.000 0.035 0.000 0.987 233 F CB 1.342 40.350 39.000 0.013 0.000 1.130 233 F HN 0.416 nan 8.300 nan 0.000 0.458 234 N N 2.402 120.799 118.700 -0.506 0.000 2.461 234 N HA 0.229 4.969 4.740 -0.000 0.000 0.188 234 N C 1.223 176.418 175.510 -0.525 0.000 1.134 234 N CA 0.643 53.466 53.050 -0.378 0.000 0.878 234 N CB 0.346 38.722 38.487 -0.186 0.000 0.972 234 N HN 0.901 nan 8.380 nan 0.000 0.456 235 G N -0.782 107.326 108.800 -1.154 0.000 2.225 235 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 235 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 235 G C 0.199 174.871 174.900 -0.380 0.000 0.988 235 G CA 0.663 45.403 45.100 -0.600 0.000 0.625 235 G HN 0.897 nan 8.290 nan 0.000 0.527 236 T N -2.390 111.911 114.554 -0.422 0.000 2.906 236 T HA 0.877 5.227 4.350 -0.000 0.000 0.295 236 T C 0.766 175.546 174.700 0.134 0.000 1.061 236 T CA 0.726 62.848 62.100 0.037 0.000 1.000 236 T CB 2.393 71.359 68.868 0.164 0.000 1.103 236 T HN 2.334 nan 8.240 nan 0.000 0.486 237 G N 2.305 111.275 108.800 0.284 0.000 2.545 237 G HA2 0.028 3.988 3.960 -0.000 0.000 0.216 237 G HA3 0.028 3.988 3.960 -0.000 0.000 0.216 237 G C -3.103 172.034 174.900 0.395 0.000 1.314 237 G CA -0.634 44.636 45.100 0.284 0.000 0.906 237 G HN 0.873 nan 8.290 nan 0.000 0.563 238 P HA 0.469 nan 4.420 nan 0.000 0.275 238 P C -0.324 177.110 177.300 0.224 0.000 1.228 238 P CA -0.206 63.041 63.100 0.244 0.000 0.786 238 P CB 1.434 33.230 31.700 0.160 0.000 0.927 239 c N 2.992 121.651 118.600 0.098 0.000 2.344 239 c HA 0.311 4.881 4.570 -0.000 0.000 0.326 239 c C 1.855 175.900 174.090 -0.075 0.000 1.201 239 c CA 0.125 56.360 56.329 -0.157 0.000 1.410 239 c CB -0.513 41.769 42.510 -0.381 0.000 2.070 239 c HN 0.794 nan 8.230 nan 0.000 0.445 240 T N 1.293 115.799 114.554 -0.079 0.000 2.951 240 T HA -0.033 4.317 4.350 -0.000 0.000 0.268 240 T C 0.565 175.230 174.700 -0.059 0.000 1.073 240 T CA 1.022 63.099 62.100 -0.039 0.000 1.134 240 T CB -0.218 68.637 68.868 -0.023 0.000 0.884 240 T HN 0.653 nan 8.240 nan 0.000 0.479 241 N N 1.532 120.163 118.700 -0.116 0.000 2.569 241 N HA 0.411 5.151 4.740 -0.000 0.000 0.254 241 N C -0.558 174.858 175.510 -0.157 0.000 1.004 241 N CA -0.711 52.272 53.050 -0.113 0.000 0.904 241 N CB 1.694 40.117 38.487 -0.107 0.000 1.165 241 N HN 0.337 nan 8.380 nan 0.000 0.513 242 V N 0.874 120.723 119.914 -0.109 0.000 3.345 242 V HA 0.964 5.084 4.120 -0.000 0.000 0.308 242 V C 0.291 176.324 176.094 -0.102 0.000 1.168 242 V CA -0.542 61.689 62.300 -0.114 0.000 1.024 242 V CB 1.135 32.924 31.823 -0.056 0.000 1.211 242 V HN 0.727 nan 8.190 nan 0.000 0.461 243 S N -1.052 114.587 115.700 -0.101 0.000 2.656 243 S HA 0.588 5.058 4.470 -0.000 0.000 0.265 243 S C -0.894 173.657 174.600 -0.082 0.000 1.132 243 S CA -0.330 57.819 58.200 -0.084 0.000 0.819 243 S CB 1.373 64.531 63.200 -0.070 0.000 1.119 243 S HN 1.186 nan 8.310 nan 0.000 0.476 244 T N 1.622 116.140 114.554 -0.059 0.000 2.892 244 T HA 0.643 4.993 4.350 -0.000 0.000 0.311 244 T C -0.169 174.529 174.700 -0.003 0.000 1.033 244 T CA -0.425 61.645 62.100 -0.049 0.000 0.991 244 T CB 0.775 69.598 68.868 -0.075 0.000 0.981 244 T HN 1.373 nan 8.240 nan 0.000 0.457 245 V N 2.208 122.142 119.914 0.032 0.000 2.732 245 V HA 0.610 4.730 4.120 -0.000 0.000 0.310 245 V C 1.246 177.367 176.094 0.045 0.000 1.053 245 V CA -0.836 61.497 62.300 0.056 0.000 0.957 245 V CB 1.907 33.799 31.823 0.115 0.000 1.018 245 V HN 0.655 nan 8.190 nan 0.000 0.452 246 Q N 1.563 121.383 119.800 0.033 0.000 2.123 246 Q HA 0.174 4.514 4.340 -0.000 0.000 0.196 246 Q C 0.388 176.377 176.000 -0.017 0.000 0.958 246 Q CA 1.447 57.263 55.803 0.021 0.000 0.841 246 Q CB 0.008 28.765 28.738 0.032 0.000 0.915 246 Q HN 0.921 nan 8.270 nan 0.000 0.455 247 c N 0.738 119.329 118.600 -0.014 0.000 2.626 247 c HA 0.630 5.200 4.570 -0.000 0.000 0.310 247 c C 0.012 174.101 174.090 -0.002 0.000 1.191 247 c CA -0.618 55.681 56.329 -0.050 0.000 1.517 247 c CB 1.169 43.637 42.510 -0.070 0.000 2.102 247 c HN 0.600 nan 8.230 nan 0.000 0.479 248 T N -0.115 114.371 114.554 -0.113 0.000 2.748 248 T HA 0.236 4.586 4.350 -0.000 0.000 0.304 248 T C 0.463 175.176 174.700 0.022 0.000 1.041 248 T CA 0.005 61.934 62.100 -0.284 0.000 1.033 248 T CB 0.259 68.600 68.868 -0.878 0.000 0.995 248 T HN 0.864 nan 8.240 nan 0.000 0.536 249 H N -0.348 118.771 119.070 0.081 0.000 2.703 249 H HA 0.259 4.815 4.556 -0.000 0.000 0.377 249 H C 0.849 176.063 175.328 -0.191 0.000 1.392 249 H CA -0.441 55.696 56.048 0.148 0.000 1.458 249 H CB -0.368 29.473 29.762 0.132 0.000 1.529 249 H HN 0.919 nan 8.280 nan 0.000 0.619 250 G N 1.340 109.952 108.800 -0.315 0.000 2.404 250 G HA2 0.344 4.304 3.960 -0.000 0.000 0.289 250 G HA3 0.344 4.304 3.960 -0.000 0.000 0.289 250 G C 0.060 174.826 174.900 -0.223 0.000 1.074 250 G CA -0.520 44.151 45.100 -0.715 0.000 1.210 250 G HN 0.564 nan 8.290 nan 0.000 0.434 251 I N 2.605 123.005 120.570 -0.284 0.000 2.336 251 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 251 I C 0.552 176.635 176.117 -0.058 0.000 0.991 251 I CA -0.689 60.548 61.300 -0.104 0.000 1.227 251 I CB 1.589 39.517 38.000 -0.121 0.000 1.366 251 I HN 0.300 nan 8.210 nan 0.000 0.466 252 R N 6.714 127.215 120.500 0.001 0.000 2.265 252 R HA 0.292 4.632 4.340 -0.000 0.000 0.314 252 R C -2.221 174.112 176.300 0.055 0.000 1.053 252 R CA -1.497 54.592 56.100 -0.018 0.000 0.931 252 R CB 0.677 30.956 30.300 -0.035 0.000 1.024 252 R HN 0.299 nan 8.270 nan 0.000 0.457 253 P HA 0.043 nan 4.420 nan 0.000 0.230 253 P C -0.708 176.750 177.300 0.264 0.000 1.791 253 P CA -0.005 63.142 63.100 0.079 0.000 1.020 253 P CB 0.185 31.905 31.700 0.033 0.000 1.977 254 V N 2.489 122.579 119.914 0.292 0.000 2.389 254 V HA 0.064 4.184 4.120 -0.000 0.000 0.264 254 V C 0.629 176.781 176.094 0.095 0.000 1.049 254 V CA -0.373 62.028 62.300 0.167 0.000 0.932 254 V CB 1.345 33.209 31.823 0.067 0.000 1.011 254 V HN 0.048 nan 8.190 nan 0.000 0.475 255 V N 6.436 126.364 119.914 0.023 0.000 2.339 255 V HA 0.526 4.646 4.120 -0.000 0.000 0.261 255 V C 0.371 176.228 176.094 -0.395 0.000 1.058 255 V CA 0.195 62.304 62.300 -0.317 0.000 0.897 255 V CB 0.666 32.108 31.823 -0.635 0.000 1.052 255 V HN 1.067 nan 8.190 nan 0.000 0.480 256 S N 3.248 118.756 115.700 -0.321 0.000 2.656 256 S HA 0.851 5.321 4.470 -0.000 0.000 0.273 256 S C -0.520 174.030 174.600 -0.083 0.000 1.168 256 S CA -0.480 57.561 58.200 -0.266 0.000 0.817 256 S CB 2.256 65.347 63.200 -0.182 0.000 1.146 256 S HN 0.827 nan 8.310 nan 0.000 0.475 257 S N -0.531 115.180 115.700 0.018 0.000 2.600 257 S HA 0.689 5.159 4.470 -0.000 0.000 0.300 257 S C 0.286 174.993 174.600 0.178 0.000 1.087 257 S CA -0.179 58.095 58.200 0.124 0.000 0.965 257 S CB 1.439 64.777 63.200 0.230 0.000 1.089 257 S HN 1.026 nan 8.310 nan 0.000 0.496 258 Q N -0.911 118.992 119.800 0.171 0.000 2.645 258 Q HA -0.248 4.092 4.340 -0.000 0.000 0.188 258 Q C -0.582 175.574 176.000 0.259 0.000 2.862 258 Q CA 2.023 57.955 55.803 0.214 0.000 0.227 258 Q CB -1.458 27.456 28.738 0.294 0.000 0.207 258 Q HN 0.790 nan 8.270 nan 0.000 0.418 259 L N 1.334 122.756 121.223 0.332 0.000 2.362 259 L HA 0.599 4.939 4.340 -0.000 0.000 0.271 259 L C -0.304 176.662 176.870 0.161 0.000 1.002 259 L CA -0.774 54.216 54.840 0.250 0.000 0.818 259 L CB 1.394 43.561 42.059 0.179 0.000 1.298 259 L HN 0.059 nan 8.230 nan 0.000 0.420 260 L N 3.716 124.998 121.223 0.098 0.000 2.307 260 L HA 0.581 4.921 4.340 -0.000 0.000 0.282 260 L C -0.567 176.320 176.870 0.028 0.000 1.051 260 L CA -0.469 54.398 54.840 0.045 0.000 0.804 260 L CB 1.288 43.368 42.059 0.035 0.000 1.197 260 L HN 0.407 nan 8.230 nan 0.000 0.431 261 L N 2.906 124.129 121.223 0.000 0.000 2.354 261 L HA 0.494 4.834 4.340 -0.000 0.000 0.269 261 L C 0.092 176.952 176.870 -0.018 0.000 1.005 261 L CA -0.948 53.872 54.840 -0.032 0.000 0.819 261 L CB 1.541 43.546 42.059 -0.090 0.000 1.311 261 L HN 0.599 nan 8.230 nan 0.000 0.423 262 N N 0.732 119.415 118.700 -0.028 0.000 2.696 262 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 262 N C 0.133 175.652 175.510 0.016 0.000 1.090 262 N CA 1.040 54.079 53.050 -0.018 0.000 0.716 262 N CB -1.101 37.363 38.487 -0.039 0.000 1.020 262 N HN 0.998 nan 8.380 nan 0.000 0.548 263 G N -1.363 107.457 108.800 0.033 0.000 2.574 263 G HA2 0.605 4.565 3.960 -0.000 0.000 0.248 263 G HA3 0.605 4.565 3.960 -0.000 0.000 0.248 263 G C -0.267 174.668 174.900 0.058 0.000 1.422 263 G CA -0.199 44.942 45.100 0.070 0.000 1.051 263 G HN 0.164 nan 8.290 nan 0.000 0.560 264 S N -0.884 114.862 115.700 0.076 0.000 2.549 264 S HA 0.585 5.055 4.470 -0.000 0.000 0.297 264 S C -0.219 174.397 174.600 0.027 0.000 1.115 264 S CA -0.410 57.807 58.200 0.028 0.000 1.059 264 S CB 1.385 64.572 63.200 -0.021 0.000 1.046 264 S HN 0.383 nan 8.310 nan 0.000 0.506 265 L N 1.701 122.925 121.223 0.003 0.000 2.375 265 L HA 0.675 5.015 4.340 -0.000 0.000 0.268 265 L C 0.517 177.390 176.870 0.005 0.000 1.058 265 L CA -0.990 53.851 54.840 0.001 0.000 0.803 265 L CB 0.780 42.834 42.059 -0.009 0.000 1.212 265 L HN 0.695 nan 8.230 nan 0.000 0.451 266 A N 0.723 123.542 122.820 -0.001 0.000 2.401 266 A HA 0.215 4.535 4.320 -0.000 0.000 0.259 266 A C 0.834 178.415 177.584 -0.006 0.000 1.103 266 A CA -0.298 51.741 52.037 0.003 0.000 0.789 266 A CB 0.295 19.286 19.000 -0.014 0.000 1.035 266 A HN 0.921 nan 8.150 nan 0.000 0.491 267 E N 1.268 121.468 120.200 -0.001 0.000 2.072 267 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 267 E C 1.038 177.628 176.600 -0.016 0.000 0.985 267 E CA 1.547 57.941 56.400 -0.011 0.000 0.801 267 E CB 0.210 29.903 29.700 -0.012 0.000 0.750 267 E HN 0.863 nan 8.360 nan 0.000 0.452 268 E N 0.376 120.567 120.200 -0.014 0.000 2.799 268 E HA 0.122 4.472 4.350 -0.000 0.000 0.298 268 E C 0.466 177.049 176.600 -0.029 0.000 0.805 268 E CA -0.163 56.224 56.400 -0.021 0.000 1.265 268 E CB 0.410 30.100 29.700 -0.017 0.000 2.052 268 E HN 0.022 nan 8.360 nan 0.000 0.541 269 E N 0.664 120.845 120.200 -0.032 0.000 2.446 269 E HA 0.338 4.688 4.350 -0.000 0.000 0.251 269 E C -0.762 175.810 176.600 -0.047 0.000 1.087 269 E CA -0.658 55.716 56.400 -0.044 0.000 0.937 269 E CB 1.678 31.349 29.700 -0.048 0.000 1.254 269 E HN -0.068 nan 8.360 nan 0.000 0.479 270 V N 1.608 121.486 119.914 -0.060 0.000 2.572 270 V HA 0.080 4.200 4.120 -0.000 0.000 0.291 270 V C -0.176 175.885 176.094 -0.055 0.000 1.039 270 V CA -0.077 62.186 62.300 -0.062 0.000 1.055 270 V CB 0.884 32.660 31.823 -0.077 0.000 0.969 270 V HN 0.284 nan 8.190 nan 0.000 0.482 271 V N 6.539 126.419 119.914 -0.057 0.000 2.409 271 V HA 0.499 4.618 4.120 -0.000 0.000 0.291 271 V C -0.094 175.977 176.094 -0.039 0.000 1.020 271 V CA -0.520 61.745 62.300 -0.059 0.000 0.848 271 V CB 1.605 33.373 31.823 -0.092 0.000 0.990 271 V HN 0.776 nan 8.190 nan 0.000 0.430 272 I N 2.524 123.107 120.570 0.022 0.000 2.437 272 I HA 0.769 4.939 4.170 -0.000 0.000 0.298 272 I C -0.347 175.918 176.117 0.246 0.000 0.984 272 I CA -0.646 60.728 61.300 0.124 0.000 1.214 272 I CB 1.450 39.567 38.000 0.196 0.000 1.365 272 I HN 0.516 nan 8.210 nan 0.000 0.469 273 R N 3.895 124.526 120.500 0.219 0.000 2.538 273 R HA 0.602 4.942 4.340 -0.000 0.000 0.292 273 R C -1.176 175.256 176.300 0.221 0.000 1.008 273 R CA -0.686 55.581 56.100 0.278 0.000 0.896 273 R CB 2.230 32.582 30.300 0.087 0.000 1.187 273 R HN 0.819 nan 8.270 nan 0.000 0.440 274 S N 1.200 116.867 115.700 -0.055 0.000 2.540 274 S HA 0.148 4.618 4.470 -0.000 0.000 0.275 274 S C 0.398 174.592 174.600 -0.676 0.000 1.123 274 S CA -0.719 57.106 58.200 -0.625 0.000 0.907 274 S CB 2.161 64.416 63.200 -1.575 0.000 1.081 274 S HN 0.434 nan 8.310 nan 0.000 0.476 275 V N 3.106 122.129 119.914 -1.485 0.000 2.626 275 V HA 0.231 4.351 4.120 -0.000 0.000 0.252 275 V C 0.222 175.966 176.094 -0.584 0.000 1.067 275 V CA 2.007 63.423 62.300 -1.474 0.000 1.081 275 V CB -0.576 30.331 31.823 -1.527 0.000 0.686 275 V HN 0.804 nan 8.190 nan 0.000 0.468 276 N N -0.979 117.442 118.700 -0.465 0.000 2.747 276 N HA 0.219 4.959 4.740 -0.000 0.000 0.262 276 N C -0.297 175.138 175.510 -0.124 0.000 1.261 276 N CA -0.496 52.439 53.050 -0.192 0.000 0.809 276 N CB 0.407 38.804 38.487 -0.151 0.000 1.450 276 N HN 0.104 nan 8.380 nan 0.000 0.560 277 F N 0.654 120.592 119.950 -0.019 0.000 2.408 277 F HA -0.057 4.469 4.527 -0.000 0.000 0.300 277 F C 2.110 178.025 175.800 0.191 0.000 1.090 277 F CA 1.095 59.147 58.000 0.087 0.000 1.427 277 F CB 0.265 39.261 39.000 -0.007 0.000 1.070 277 F HN 0.388 nan 8.300 nan 0.000 0.549 278 T N -1.988 112.711 114.554 0.242 0.000 2.894 278 T HA -0.108 4.241 4.350 -0.000 0.000 0.258 278 T C 0.603 175.355 174.700 0.087 0.000 1.043 278 T CA 0.508 62.716 62.100 0.181 0.000 1.141 278 T CB -0.227 68.708 68.868 0.113 0.000 0.873 278 T HN -0.068 nan 8.240 nan 0.000 0.449 279 D N 2.713 123.128 120.400 0.025 0.000 2.349 279 D HA 0.002 4.642 4.640 -0.000 0.000 0.266 279 D C 0.902 177.178 176.300 -0.039 0.000 1.293 279 D CA -0.229 53.755 54.000 -0.026 0.000 0.926 279 D CB 0.355 41.116 40.800 -0.065 0.000 1.090 279 D HN 0.253 nan 8.370 nan 0.000 0.502 280 N N 3.487 122.162 118.700 -0.042 0.000 2.453 280 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 280 N C 1.296 176.763 175.510 -0.071 0.000 1.041 280 N CA 0.847 53.858 53.050 -0.065 0.000 0.900 280 N CB -0.326 38.103 38.487 -0.096 0.000 0.961 280 N HN 0.280 nan 8.380 nan 0.000 0.443 281 A N -0.060 122.719 122.820 -0.070 0.000 2.167 281 A HA 0.011 4.331 4.320 -0.000 0.000 0.214 281 A C 0.705 178.240 177.584 -0.083 0.000 1.151 281 A CA 0.403 52.399 52.037 -0.069 0.000 0.735 281 A CB -0.114 18.849 19.000 -0.062 0.000 0.802 281 A HN 0.050 nan 8.150 nan 0.000 0.467 282 K N 1.356 121.689 120.400 -0.112 0.000 2.174 282 K HA 0.359 4.679 4.320 -0.000 0.000 0.275 282 K C -0.198 176.317 176.600 -0.142 0.000 1.015 282 K CA -0.090 56.096 56.287 -0.167 0.000 0.933 282 K CB 0.663 33.001 32.500 -0.271 0.000 1.025 282 K HN 0.158 nan 8.250 nan 0.000 0.463 283 T N 2.070 116.551 114.554 -0.122 0.000 2.860 283 T HA 0.327 4.677 4.350 -0.000 0.000 0.299 283 T C 0.787 175.453 174.700 -0.056 0.000 1.045 283 T CA -0.260 61.813 62.100 -0.046 0.000 1.071 283 T CB 0.470 69.344 68.868 0.009 0.000 0.985 283 T HN 0.336 nan 8.240 nan 0.000 0.537 284 I N 2.528 123.109 120.570 0.018 0.000 2.428 284 I HA 0.301 4.471 4.170 -0.000 0.000 0.279 284 I C -0.113 176.055 176.117 0.084 0.000 1.040 284 I CA -0.501 60.816 61.300 0.028 0.000 1.171 284 I CB 0.657 38.708 38.000 0.085 0.000 1.312 284 I HN 0.482 nan 8.210 nan 0.000 0.470 285 I N 6.787 127.426 120.570 0.115 0.000 2.471 285 I HA 0.085 4.254 4.170 -0.000 0.000 0.294 285 I C 0.092 176.229 176.117 0.033 0.000 1.123 285 I CA -0.144 61.200 61.300 0.073 0.000 1.336 285 I CB 0.064 38.095 38.000 0.051 0.000 1.430 285 I HN 0.202 nan 8.210 nan 0.000 0.533 286 V N 6.518 126.455 119.914 0.039 0.000 2.567 286 V HA 0.267 4.387 4.120 -0.000 0.000 0.289 286 V C 0.100 176.188 176.094 -0.010 0.000 1.049 286 V CA -0.523 61.788 62.300 0.019 0.000 0.969 286 V CB 1.535 33.381 31.823 0.038 0.000 0.995 286 V HN 0.707 nan 8.190 nan 0.000 0.471 287 Q N 3.380 123.155 119.800 -0.041 0.000 2.340 287 Q HA 0.629 4.969 4.340 -0.000 0.000 0.268 287 Q C -1.574 174.401 176.000 -0.042 0.000 1.031 287 Q CA -0.662 55.113 55.803 -0.046 0.000 0.804 287 Q CB 1.874 30.558 28.738 -0.090 0.000 1.286 287 Q HN 0.709 nan 8.270 nan 0.000 0.448 288 L N 2.905 124.110 121.223 -0.030 0.000 2.343 288 L HA 0.358 4.698 4.340 -0.000 0.000 0.275 288 L C 0.923 177.771 176.870 -0.036 0.000 1.056 288 L CA -0.732 54.082 54.840 -0.043 0.000 0.804 288 L CB 0.921 42.956 42.059 -0.040 0.000 1.203 288 L HN 0.764 nan 8.230 nan 0.000 0.440 289 N N -0.942 117.730 118.700 -0.047 0.000 2.412 289 N HA -0.000 4.740 4.740 -0.000 0.000 0.184 289 N C -0.184 175.305 175.510 -0.034 0.000 1.101 289 N CA 0.028 53.055 53.050 -0.038 0.000 0.881 289 N CB 0.299 38.759 38.487 -0.045 0.000 0.969 289 N HN 0.542 nan 8.380 nan 0.000 0.459 290 T N -0.294 114.240 114.554 -0.035 0.000 2.956 290 T HA 0.398 4.748 4.350 -0.000 0.000 0.312 290 T C -1.071 173.620 174.700 -0.015 0.000 1.151 290 T CA -0.915 61.169 62.100 -0.026 0.000 1.024 290 T CB 1.699 70.548 68.868 -0.032 0.000 1.140 290 T HN 0.219 nan 8.240 nan 0.000 0.473 291 S N 1.373 117.069 115.700 -0.007 0.000 2.513 291 S HA 0.641 5.110 4.470 -0.000 0.000 0.276 291 S C -0.093 174.515 174.600 0.012 0.000 1.254 291 S CA -0.714 57.488 58.200 0.003 0.000 1.053 291 S CB 0.760 63.958 63.200 -0.004 0.000 0.958 291 S HN 0.497 nan 8.310 nan 0.000 0.491 292 V N 3.472 123.408 119.914 0.036 0.000 2.398 292 V HA 0.308 4.428 4.120 -0.000 0.000 0.286 292 V C 0.465 176.562 176.094 0.006 0.000 1.026 292 V CA -0.725 61.605 62.300 0.051 0.000 0.868 292 V CB 1.115 33.030 31.823 0.152 0.000 0.982 292 V HN 0.940 nan 8.190 nan 0.000 0.443 293 E N 3.839 124.031 120.200 -0.014 0.000 2.404 293 E HA 0.443 4.793 4.350 -0.000 0.000 0.261 293 E C -0.471 176.080 176.600 -0.083 0.000 1.074 293 E CA -0.123 56.249 56.400 -0.046 0.000 0.917 293 E CB 1.606 31.285 29.700 -0.036 0.000 0.965 293 E HN 0.575 nan 8.360 nan 0.000 0.433 294 I N 2.147 122.649 120.570 -0.113 0.000 2.590 294 I HA 0.186 4.356 4.170 -0.000 0.000 0.283 294 I C -1.856 174.176 176.117 -0.141 0.000 1.154 294 I CA -0.656 60.553 61.300 -0.152 0.000 1.067 294 I CB 0.966 38.824 38.000 -0.237 0.000 1.243 294 I HN 0.361 nan 8.210 nan 0.000 0.451 295 N N 6.803 125.446 118.700 -0.096 0.000 2.424 295 N HA 0.529 5.269 4.740 -0.000 0.000 0.271 295 N C -1.093 174.370 175.510 -0.077 0.000 0.985 295 N CA -0.202 52.799 53.050 -0.080 0.000 0.921 295 N CB 1.651 40.114 38.487 -0.041 0.000 1.149 295 N HN 0.452 nan 8.380 nan 0.000 0.492 296 c N 0.088 118.623 118.600 -0.107 0.000 2.595 296 c HA 0.840 5.410 4.570 -0.000 0.000 0.338 296 c C 0.735 174.757 174.090 -0.113 0.000 1.219 296 c CA -0.532 55.735 56.329 -0.104 0.000 1.811 296 c CB 1.942 44.410 42.510 -0.070 0.000 2.313 296 c HN 0.694 nan 8.230 nan 0.000 0.499 297 T N -1.154 113.340 114.554 -0.100 0.000 2.843 297 T HA 0.528 4.878 4.350 -0.000 0.000 0.302 297 T C 0.811 175.618 174.700 0.179 0.000 1.232 297 T CA 0.361 62.448 62.100 -0.023 0.000 1.009 297 T CB 1.303 70.082 68.868 -0.149 0.000 1.254 297 T HN 0.909 nan 8.240 nan 0.000 0.504 298 G N 0.961 109.872 108.800 0.185 0.000 2.776 298 G HA2 0.407 4.367 3.960 -0.000 0.000 0.209 298 G HA3 0.407 4.367 3.960 -0.000 0.000 0.209 298 G C 0.712 175.644 174.900 0.054 0.000 1.145 298 G CA 0.549 45.731 45.100 0.137 0.000 0.791 298 G HN 1.001 nan 8.290 nan 0.000 0.530 330 H N -2.719 116.449 119.070 0.164 0.000 3.068 330 H HA 0.730 5.286 4.556 -0.000 0.000 0.342 330 H C -1.382 174.038 175.328 0.153 0.000 1.284 330 H CA -1.133 54.996 56.048 0.136 0.000 1.181 330 H CB 1.141 30.953 29.762 0.083 0.000 1.898 330 H HN 0.161 nan 8.280 nan 0.000 0.540 331 c N 2.527 121.242 118.600 0.191 0.000 2.446 331 c HA 0.447 5.017 4.570 -0.000 0.000 0.329 331 c C -0.558 173.578 174.090 0.076 0.000 1.166 331 c CA -0.904 55.480 56.329 0.091 0.000 1.341 331 c CB 0.253 42.818 42.510 0.091 0.000 1.970 331 c HN 0.903 nan 8.230 nan 0.000 0.452 332 N N 2.307 121.044 118.700 0.062 0.000 2.472 332 N HA 0.736 5.476 4.740 -0.000 0.000 0.277 332 N C -0.977 174.501 175.510 -0.053 0.000 1.081 332 N CA -0.174 52.894 53.050 0.030 0.000 0.973 332 N CB 0.855 39.380 38.487 0.063 0.000 1.105 332 N HN 0.557 nan 8.380 nan 0.000 0.470 333 I N 0.905 121.426 120.570 -0.082 0.000 2.619 333 I HA 0.382 4.551 4.170 -0.000 0.000 0.292 333 I C -0.335 175.742 176.117 -0.066 0.000 1.100 333 I CA -1.284 59.944 61.300 -0.119 0.000 1.043 333 I CB 2.020 39.864 38.000 -0.261 0.000 1.239 333 I HN 0.494 nan 8.210 nan 0.000 0.420 334 A N 5.554 128.358 122.820 -0.025 0.000 2.484 334 A HA 0.155 4.475 4.320 -0.000 0.000 0.268 334 A C 1.385 178.997 177.584 0.047 0.000 1.114 334 A CA 0.065 52.109 52.037 0.012 0.000 0.780 334 A CB -0.039 18.974 19.000 0.023 0.000 1.061 334 A HN 0.946 nan 8.150 nan 0.000 0.505 335 R N 2.592 123.117 120.500 0.041 0.000 2.115 335 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 335 R C 2.058 178.429 176.300 0.117 0.000 1.111 335 R CA 1.578 57.726 56.100 0.079 0.000 0.976 335 R CB -0.164 30.166 30.300 0.050 0.000 0.870 335 R HN 0.819 nan 8.270 nan 0.000 0.445 336 A N 1.239 124.106 122.820 0.078 0.000 1.877 336 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 336 A C 1.989 179.614 177.584 0.069 0.000 1.186 336 A CA 1.444 53.521 52.037 0.066 0.000 0.620 336 A CB -0.344 18.680 19.000 0.039 0.000 0.822 336 A HN 0.283 nan 8.150 nan 0.000 0.443 337 K N -1.467 118.979 120.400 0.077 0.000 2.032 337 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 337 K C 1.991 178.652 176.600 0.102 0.000 1.048 337 K CA 1.501 57.830 56.287 0.071 0.000 0.927 337 K CB -0.316 32.231 32.500 0.079 0.000 0.712 337 K HN 0.789 nan 8.250 nan 0.000 0.441 338 W N 2.301 123.571 121.300 -0.049 0.000 2.392 338 W HA -0.212 4.448 4.660 -0.000 0.000 0.279 338 W C 1.191 177.708 176.519 -0.005 0.000 1.225 338 W CA 1.159 58.465 57.345 -0.064 0.000 1.233 338 W CB -0.090 29.310 29.460 -0.100 0.000 1.122 338 W HN 0.186 nan 8.180 nan 0.000 0.561 339 N N 0.802 119.574 118.700 0.119 0.000 2.039 339 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 339 N C 1.203 176.670 175.510 -0.073 0.000 1.044 339 N CA 1.886 55.021 53.050 0.141 0.000 0.847 339 N CB -1.102 37.485 38.487 0.168 0.000 1.030 339 N HN 0.089 nan 8.380 nan 0.000 0.422 340 N N 0.047 118.674 118.700 -0.121 0.000 2.120 340 N HA -0.072 4.668 4.740 -0.000 0.000 0.188 340 N C 1.627 176.960 175.510 -0.294 0.000 1.024 340 N CA 1.178 54.099 53.050 -0.214 0.000 0.852 340 N CB -0.861 37.545 38.487 -0.136 0.000 1.003 340 N HN 0.264 nan 8.380 nan 0.000 0.424 341 T N 1.607 115.985 114.554 -0.293 0.000 2.708 341 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 341 T C 2.055 176.457 174.700 -0.496 0.000 1.037 341 T CA 0.748 62.620 62.100 -0.380 0.000 1.146 341 T CB -0.309 68.296 68.868 -0.437 0.000 0.865 341 T HN 0.147 nan 8.240 nan 0.000 0.435 342 L N 0.601 121.470 121.223 -0.591 0.000 2.131 342 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 342 L C 2.723 179.333 176.870 -0.434 0.000 1.092 342 L CA 1.182 55.769 54.840 -0.423 0.000 0.759 342 L CB -0.440 41.557 42.059 -0.103 0.000 0.903 342 L HN 0.213 nan 8.230 nan 0.000 0.435 343 K N 0.298 120.208 120.400 -0.817 0.000 2.025 343 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 343 K C 2.072 178.332 176.600 -0.567 0.000 1.049 343 K CA 1.487 57.107 56.287 -1.111 0.000 0.933 343 K CB 0.020 31.939 32.500 -0.969 0.000 0.714 343 K HN 0.382 nan 8.250 nan 0.000 0.438 344 Q N 0.234 119.798 119.800 -0.394 0.000 2.224 344 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 344 Q C 2.079 177.959 176.000 -0.199 0.000 0.970 344 Q CA 1.236 56.886 55.803 -0.256 0.000 0.865 344 Q CB -0.033 28.580 28.738 -0.210 0.000 0.922 344 Q HN 0.382 nan 8.270 nan 0.000 0.445 345 I N 0.549 120.997 120.570 -0.205 0.000 2.286 345 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 345 I C 2.274 178.381 176.117 -0.017 0.000 1.104 345 I CA 0.802 62.040 61.300 -0.104 0.000 1.397 345 I CB -0.310 37.623 38.000 -0.111 0.000 1.072 345 I HN 0.135 nan 8.210 nan 0.000 0.417 346 A N -0.391 122.437 122.820 0.014 0.000 2.121 346 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 346 A C 2.416 179.977 177.584 -0.037 0.000 1.154 346 A CA 1.798 53.889 52.037 0.090 0.000 0.679 346 A CB -0.510 18.594 19.000 0.173 0.000 0.795 346 A HN 0.393 nan 8.150 nan 0.000 0.458 347 S N -0.552 115.089 115.700 -0.098 0.000 2.345 347 S HA -0.121 4.349 4.470 -0.000 0.000 0.219 347 S C 2.133 176.693 174.600 -0.066 0.000 1.031 347 S CA 1.336 59.480 58.200 -0.094 0.000 0.984 347 S CB -0.204 62.926 63.200 -0.118 0.000 0.874 347 S HN 0.466 nan 8.310 nan 0.000 0.451 348 K N 1.157 121.516 120.400 -0.068 0.000 2.057 348 K HA 0.052 4.372 4.320 -0.000 0.000 0.207 348 K C 2.134 178.701 176.600 -0.054 0.000 1.049 348 K CA 0.956 57.202 56.287 -0.068 0.000 0.931 348 K CB -0.868 31.594 32.500 -0.062 0.000 0.714 348 K HN 0.423 nan 8.250 nan 0.000 0.440 349 L N 0.230 121.441 121.223 -0.020 0.000 2.046 349 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 349 L C 2.591 179.575 176.870 0.189 0.000 1.077 349 L CA 1.169 56.049 54.840 0.067 0.000 0.747 349 L CB -0.321 41.644 42.059 -0.157 0.000 0.896 349 L HN 0.126 nan 8.230 nan 0.000 0.432 350 R N 0.196 120.751 120.500 0.091 0.000 2.323 350 R HA -0.093 4.247 4.340 -0.000 0.000 0.198 350 R C 1.483 177.806 176.300 0.038 0.000 0.988 350 R CA 0.482 56.641 56.100 0.098 0.000 1.041 350 R CB 0.182 30.498 30.300 0.027 0.000 0.926 350 R HN 0.346 nan 8.270 nan 0.000 0.476 351 E N -0.398 119.787 120.200 -0.025 0.000 2.501 351 E HA -0.059 4.291 4.350 -0.000 0.000 0.200 351 E C 0.802 177.299 176.600 -0.172 0.000 1.016 351 E CA -0.054 56.298 56.400 -0.079 0.000 0.921 351 E CB 0.600 30.247 29.700 -0.087 0.000 1.034 351 E HN 0.146 nan 8.360 nan 0.000 0.468 352 Q N -0.952 118.702 119.800 -0.244 0.000 2.288 352 Q HA 0.130 4.470 4.340 -0.000 0.000 0.256 352 Q C -0.393 175.191 176.000 -0.692 0.000 0.835 352 Q CA 0.393 55.843 55.803 -0.589 0.000 0.958 352 Q CB 0.456 28.659 28.738 -0.891 0.000 1.125 352 Q HN 0.121 nan 8.270 nan 0.000 0.513 353 F N -0.001 119.951 119.950 0.002 0.000 2.831 353 F HA 0.614 5.141 4.527 -0.000 0.000 0.355 353 F C 0.940 176.754 175.800 0.024 0.000 1.341 353 F CA -0.041 57.978 58.000 0.033 0.000 1.201 353 F CB 1.423 40.474 39.000 0.086 0.000 1.058 353 F HN 0.161 nan 8.300 nan 0.000 0.514 354 G N 0.457 109.314 108.800 0.095 0.000 2.195 354 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.224 354 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.224 354 G C 0.444 175.379 174.900 0.058 0.000 0.990 354 G CA -0.173 44.971 45.100 0.073 0.000 0.639 354 G HN 0.361 nan 8.290 nan 0.000 0.514 355 N N -0.152 118.582 118.700 0.057 0.000 2.735 355 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 355 N C 0.652 176.202 175.510 0.066 0.000 1.083 355 N CA 1.973 55.050 53.050 0.044 0.000 0.703 355 N CB -1.261 37.235 38.487 0.016 0.000 1.005 355 N HN 1.321 nan 8.380 nan 0.000 0.550 356 N N -2.865 115.891 118.700 0.093 0.000 1.903 356 N HA -0.019 4.721 4.740 -0.000 0.000 0.220 356 N C -0.908 174.689 175.510 0.145 0.000 1.427 356 N CA -0.148 52.971 53.050 0.116 0.000 0.697 356 N CB 0.400 38.942 38.487 0.092 0.000 1.097 356 N HN -0.061 nan 8.380 nan 0.000 0.564 357 K N 1.120 121.601 120.400 0.135 0.000 2.174 357 K HA 0.366 4.686 4.320 -0.000 0.000 0.275 357 K C -0.303 176.371 176.600 0.124 0.000 1.015 357 K CA -0.142 56.224 56.287 0.131 0.000 0.933 357 K CB 1.062 33.636 32.500 0.123 0.000 1.025 357 K HN 0.056 nan 8.250 nan 0.000 0.463 358 T N 3.567 118.223 114.554 0.170 0.000 2.779 358 T HA 0.286 4.636 4.350 -0.000 0.000 0.296 358 T C 0.694 175.421 174.700 0.046 0.000 0.938 358 T CA -0.208 61.998 62.100 0.177 0.000 1.119 358 T CB 0.090 69.185 68.868 0.378 0.000 0.891 358 T HN 0.277 nan 8.240 nan 0.000 0.526 359 I N 5.000 125.549 120.570 -0.036 0.000 2.321 359 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 359 I C -0.013 176.061 176.117 -0.072 0.000 0.998 359 I CA -0.520 60.773 61.300 -0.012 0.000 1.227 359 I CB 0.812 38.825 38.000 0.022 0.000 1.368 359 I HN 0.438 nan 8.210 nan 0.000 0.466 360 I N 5.887 126.363 120.570 -0.156 0.000 2.530 360 I HA 0.368 4.537 4.170 -0.000 0.000 0.297 360 I C -1.008 174.940 176.117 -0.282 0.000 1.011 360 I CA -0.595 60.622 61.300 -0.138 0.000 1.107 360 I CB 2.026 39.995 38.000 -0.050 0.000 1.285 360 I HN 0.345 nan 8.210 nan 0.000 0.436 361 F N 4.750 124.750 119.950 0.084 0.000 2.359 361 F HA 0.424 4.951 4.527 -0.000 0.000 0.370 361 F C 0.370 176.266 175.800 0.160 0.000 1.077 361 F CA -0.659 57.452 58.000 0.185 0.000 1.136 361 F CB 0.795 39.942 39.000 0.246 0.000 1.387 361 F HN 0.242 nan 8.300 nan 0.000 0.468 362 K N 1.862 122.398 120.400 0.227 0.000 2.098 362 K HA 0.325 4.645 4.320 -0.000 0.000 0.244 362 K C 0.270 176.986 176.600 0.194 0.000 1.014 362 K CA -0.845 55.543 56.287 0.167 0.000 0.917 362 K CB 1.062 33.603 32.500 0.069 0.000 1.072 362 K HN 0.623 nan 8.250 nan 0.000 0.477 363 Q N -0.035 119.862 119.800 0.161 0.000 2.697 363 Q HA 0.095 4.435 4.340 -0.000 0.000 0.196 363 Q C -0.042 175.987 176.000 0.049 0.000 1.121 363 Q CA -0.471 55.418 55.803 0.143 0.000 1.151 363 Q CB 0.208 29.028 28.738 0.137 0.000 1.250 363 Q HN 0.367 nan 8.270 nan 0.000 0.658 364 S N -0.428 115.292 115.700 0.032 0.000 2.552 364 S HA -0.048 4.422 4.470 -0.000 0.000 0.289 364 S C 0.851 175.458 174.600 0.012 0.000 1.304 364 S CA 0.211 58.415 58.200 0.006 0.000 1.063 364 S CB 0.476 63.694 63.200 0.030 0.000 0.848 364 S HN 0.662 nan 8.310 nan 0.000 0.499 365 S N 3.179 118.876 115.700 -0.004 0.000 2.489 365 S HA 0.352 4.821 4.470 -0.000 0.000 0.228 365 S C 0.801 175.399 174.600 -0.003 0.000 0.995 365 S CA 0.950 59.146 58.200 -0.008 0.000 0.934 365 S CB -0.963 62.222 63.200 -0.023 0.000 0.771 365 S HN 1.587 nan 8.310 nan 0.000 0.522 366 G N -1.787 107.014 108.800 0.003 0.000 2.362 366 G HA2 0.470 4.430 3.960 -0.000 0.000 0.656 366 G HA3 0.470 4.430 3.960 -0.000 0.000 0.656 366 G C -0.109 174.790 174.900 -0.001 0.000 1.376 366 G CA -0.581 44.521 45.100 0.003 0.000 0.971 366 G HN 1.314 nan 8.290 nan 0.000 0.636 367 G N -0.231 108.567 108.800 -0.003 0.000 2.278 367 G HA2 0.476 4.436 3.960 -0.000 0.000 0.265 367 G HA3 0.476 4.436 3.960 -0.000 0.000 0.265 367 G C -1.098 173.794 174.900 -0.013 0.000 1.329 367 G CA 0.230 45.324 45.100 -0.010 0.000 1.017 367 G HN 1.108 nan 8.290 nan 0.000 0.472 368 D N 1.285 121.671 120.400 -0.023 0.000 2.400 368 D HA 0.321 4.961 4.640 -0.000 0.000 0.238 368 D C -1.170 175.121 176.300 -0.015 0.000 1.157 368 D CA -0.830 53.147 54.000 -0.038 0.000 0.889 368 D CB 1.076 41.838 40.800 -0.064 0.000 1.199 368 D HN 0.012 nan 8.370 nan 0.000 0.436 369 P HA -0.131 nan 4.420 nan 0.000 0.218 369 P C 0.684 178.086 177.300 0.170 0.000 1.146 369 P CA 1.189 64.322 63.100 0.056 0.000 0.813 369 P CB 0.321 31.985 31.700 -0.061 0.000 0.778 370 E N -1.426 118.779 120.200 0.009 0.000 2.274 370 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 370 E C 1.655 178.283 176.600 0.047 0.000 0.996 370 E CA 0.707 57.025 56.400 -0.137 0.000 0.840 370 E CB -0.426 28.936 29.700 -0.564 0.000 0.772 370 E HN 0.228 nan 8.360 nan 0.000 0.491 371 I N -0.582 120.014 120.570 0.043 0.000 3.081 371 I HA -0.029 4.141 4.170 -0.000 0.000 0.274 371 I C 1.757 177.921 176.117 0.079 0.000 1.178 371 I CA 0.548 61.885 61.300 0.060 0.000 1.460 371 I CB -0.384 37.631 38.000 0.025 0.000 1.137 371 I HN -0.026 nan 8.210 nan 0.000 0.443 372 V N 0.662 120.627 119.914 0.086 0.000 2.649 372 V HA -0.043 4.077 4.120 -0.000 0.000 0.248 372 V C 1.346 177.528 176.094 0.146 0.000 1.054 372 V CA 1.359 63.715 62.300 0.092 0.000 1.073 372 V CB -0.828 31.039 31.823 0.073 0.000 0.699 372 V HN 0.538 nan 8.190 nan 0.000 0.463 373 T N -2.596 112.080 114.554 0.204 0.000 2.952 373 T HA 0.283 4.633 4.350 -0.000 0.000 0.286 373 T C 0.000 174.891 174.700 0.317 0.000 1.024 373 T CA -0.529 61.736 62.100 0.274 0.000 1.029 373 T CB 1.266 70.342 68.868 0.346 0.000 1.094 373 T HN 0.355 nan 8.240 nan 0.000 0.515 374 H N 1.188 120.421 119.070 0.271 0.000 3.224 374 H HA 0.098 4.654 4.556 -0.000 0.000 0.265 374 H C -0.928 174.637 175.328 0.394 0.000 1.461 374 H CA -0.651 55.579 56.048 0.304 0.000 1.509 374 H CB -0.370 29.558 29.762 0.277 0.000 1.686 374 H HN 0.639 nan 8.280 nan 0.000 0.514 375 W N 7.597 128.806 121.300 -0.152 0.000 2.218 375 W HA 0.328 4.988 4.660 -0.000 0.000 0.326 375 W C -1.296 175.100 176.519 -0.205 0.000 1.276 375 W CA -0.371 56.776 57.345 -0.331 0.000 1.210 375 W CB -0.001 29.259 29.460 -0.334 0.000 1.143 375 W HN 0.525 nan 8.180 nan 0.000 0.563 376 F N 2.709 122.134 119.950 -0.875 0.000 3.194 376 F HA 0.396 4.923 4.527 -0.000 0.000 0.327 376 F C -1.448 174.006 175.800 -0.576 0.000 1.141 376 F CA -1.424 56.093 58.000 -0.805 0.000 0.862 376 F CB 0.738 39.406 39.000 -0.553 0.000 1.447 376 F HN 0.321 nan 8.300 nan 0.000 0.479 377 N N 0.304 118.913 118.700 -0.152 0.000 2.314 377 N HA 0.592 5.332 4.740 -0.000 0.000 0.304 377 N C -2.084 173.387 175.510 -0.064 0.000 1.073 377 N CA -0.200 52.704 53.050 -0.244 0.000 0.822 377 N CB 2.239 40.586 38.487 -0.233 0.000 1.280 377 N HN 0.988 nan 8.380 nan 0.000 0.489 378 c N 2.170 120.670 118.600 -0.167 0.000 3.080 378 c HA 0.518 5.088 4.570 -0.000 0.000 0.388 378 c C 0.743 174.803 174.090 -0.049 0.000 1.079 378 c CA 0.409 56.660 56.329 -0.131 0.000 1.289 378 c CB -0.978 41.301 42.510 -0.385 0.000 1.702 378 c HN 0.981 nan 8.230 nan 0.000 0.516 379 G N 3.468 112.247 108.800 -0.035 0.000 2.147 379 G HA2 0.205 4.165 3.960 -0.000 0.000 0.244 379 G HA3 0.205 4.165 3.960 -0.000 0.000 0.244 379 G C 1.448 176.294 174.900 -0.091 0.000 1.005 379 G CA 1.252 46.341 45.100 -0.018 0.000 0.713 379 G HN 2.762 nan 8.290 nan 0.000 0.515 380 G N -1.664 106.992 108.800 -0.241 0.000 2.199 380 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 380 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 380 G C 0.122 174.652 174.900 -0.617 0.000 0.982 380 G CA 0.955 45.761 45.100 -0.489 0.000 0.632 380 G HN 1.053 nan 8.290 nan 0.000 0.529 381 E N -0.302 119.665 120.200 -0.389 0.000 2.242 381 E HA 0.614 4.964 4.350 -0.000 0.000 0.275 381 E C -0.669 175.729 176.600 -0.336 0.000 1.002 381 E CA -0.727 55.511 56.400 -0.270 0.000 0.841 381 E CB 0.849 30.532 29.700 -0.028 0.000 1.109 381 E HN 0.164 nan 8.360 nan 0.000 0.394 382 F N 1.665 121.635 119.950 0.033 0.000 2.361 382 F HA 0.321 4.848 4.527 -0.000 0.000 0.364 382 F C 0.198 176.026 175.800 0.047 0.000 1.120 382 F CA -0.563 57.486 58.000 0.081 0.000 1.102 382 F CB 0.352 39.573 39.000 0.368 0.000 1.183 382 F HN 0.287 nan 8.300 nan 0.000 0.476 383 F N 2.628 122.331 119.950 -0.413 0.000 2.384 383 F HA 0.405 4.932 4.527 -0.000 0.000 0.338 383 F C -0.447 175.121 175.800 -0.387 0.000 1.103 383 F CA -0.609 57.105 58.000 -0.476 0.000 1.157 383 F CB 0.832 39.151 39.000 -1.135 0.000 1.167 383 F HN 0.305 nan 8.300 nan 0.000 0.529 384 Y N 1.628 121.984 120.300 0.093 0.000 2.338 384 Y HA 0.483 5.033 4.550 -0.000 0.000 0.333 384 Y C -0.576 175.447 175.900 0.205 0.000 0.968 384 Y CA -0.874 57.336 58.100 0.184 0.000 1.123 384 Y CB 1.652 40.192 38.460 0.133 0.000 1.165 384 Y HN 0.441 nan 8.280 nan 0.000 0.452 385 c N 2.784 121.622 118.600 0.396 0.000 2.441 385 c HA 0.337 4.907 4.570 -0.000 0.000 0.318 385 c C 0.029 174.297 174.090 0.296 0.000 1.222 385 c CA -1.308 55.235 56.329 0.357 0.000 1.474 385 c CB 0.958 43.733 42.510 0.443 0.000 2.125 385 c HN 0.781 nan 8.230 nan 0.000 0.479 386 N N 1.450 120.281 118.700 0.218 0.000 2.468 386 N HA 0.049 4.789 4.740 -0.000 0.000 0.265 386 N C 0.864 176.477 175.510 0.172 0.000 1.199 386 N CA 0.253 53.410 53.050 0.178 0.000 0.928 386 N CB 0.851 39.416 38.487 0.130 0.000 1.059 386 N HN 0.836 nan 8.380 nan 0.000 0.467 387 S N 0.736 116.560 115.700 0.206 0.000 2.568 387 S HA 0.069 4.539 4.470 -0.000 0.000 0.232 387 S C 1.079 175.855 174.600 0.293 0.000 0.975 387 S CA -0.317 58.036 58.200 0.255 0.000 0.949 387 S CB -0.094 63.340 63.200 0.389 0.000 0.829 387 S HN 0.480 nan 8.310 nan 0.000 0.479 388 T N 2.763 117.434 114.554 0.195 0.000 2.867 388 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 388 T C 1.761 176.537 174.700 0.128 0.000 1.057 388 T CA 1.435 63.642 62.100 0.178 0.000 1.136 388 T CB -0.274 68.666 68.868 0.119 0.000 0.874 388 T HN 0.543 nan 8.240 nan 0.000 0.466 389 Q N 0.348 120.185 119.800 0.063 0.000 2.167 389 Q HA 0.069 4.409 4.340 -0.000 0.000 0.202 389 Q C 2.242 178.208 176.000 -0.058 0.000 0.970 389 Q CA 0.915 56.719 55.803 0.001 0.000 0.855 389 Q CB -0.310 28.412 28.738 -0.026 0.000 0.911 389 Q HN 0.487 nan 8.270 nan 0.000 0.438 390 L N -0.998 120.146 121.223 -0.133 0.000 2.131 390 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 390 L C 0.379 177.077 176.870 -0.286 0.000 1.087 390 L CA 0.533 55.166 54.840 -0.346 0.000 0.767 390 L CB 0.169 41.783 42.059 -0.741 0.000 0.917 390 L HN 0.111 nan 8.230 nan 0.000 0.441 391 F N -0.037 120.007 119.950 0.157 0.000 2.366 391 F HA 0.288 4.815 4.527 -0.000 0.000 0.328 391 F C 0.441 176.316 175.800 0.125 0.000 1.180 391 F CA -0.362 57.743 58.000 0.176 0.000 1.232 391 F CB 0.125 39.256 39.000 0.218 0.000 1.513 391 F HN -0.096 nan 8.300 nan 0.000 0.540 392 N N 0.764 119.561 118.700 0.161 0.000 2.545 392 N HA 0.115 4.855 4.740 -0.000 0.000 0.283 392 N C -1.337 174.171 175.510 -0.003 0.000 1.596 392 N CA 0.009 53.115 53.050 0.094 0.000 0.862 392 N CB 0.683 39.211 38.487 0.067 0.000 1.422 392 N HN 0.082 nan 8.380 nan 0.000 0.489 393 S N -0.422 115.245 115.700 -0.054 0.000 2.561 393 S HA 0.446 4.916 4.470 -0.000 0.000 0.303 393 S C -0.493 173.937 174.600 -0.284 0.000 1.110 393 S CA -0.547 57.472 58.200 -0.302 0.000 1.034 393 S CB 1.749 64.538 63.200 -0.685 0.000 1.010 393 S HN 0.080 nan 8.310 nan 0.000 0.482 394 T N 2.811 117.237 114.554 -0.213 0.000 2.744 394 T HA 0.234 4.584 4.350 -0.000 0.000 0.291 394 T C -0.596 174.086 174.700 -0.029 0.000 0.957 394 T CA -0.226 61.831 62.100 -0.071 0.000 1.002 394 T CB 0.158 69.056 68.868 0.050 0.000 0.919 394 T HN 0.606 nan 8.240 nan 0.000 0.468 395 W N 4.735 126.105 121.300 0.117 0.000 2.365 395 W HA 0.540 5.199 4.660 -0.000 0.000 0.371 395 W C -0.167 176.275 176.519 -0.129 0.000 1.006 395 W CA -0.746 56.615 57.345 0.026 0.000 1.528 395 W CB 0.031 29.508 29.460 0.030 0.000 1.497 395 W HN 0.619 nan 8.180 nan 0.000 0.367 411 S N -0.427 115.283 115.700 0.017 0.000 2.745 411 S HA 0.574 5.044 4.470 -0.000 0.000 0.292 411 S C 0.576 175.184 174.600 0.014 0.000 1.127 411 S CA -0.359 57.848 58.200 0.012 0.000 1.007 411 S CB 2.177 65.381 63.200 0.006 0.000 1.165 411 S HN 0.081 nan 8.310 nan 0.000 0.544 412 D N 0.443 120.848 120.400 0.010 0.000 2.840 412 D HA 0.106 4.746 4.640 -0.000 0.000 0.277 412 D C 0.461 176.766 176.300 0.010 0.000 1.066 412 D CA 0.907 54.914 54.000 0.011 0.000 0.979 412 D CB 0.117 40.922 40.800 0.008 0.000 1.157 412 D HN 0.633 nan 8.370 nan 0.000 0.466 413 T N -0.698 113.857 114.554 0.002 0.000 2.888 413 T HA 0.636 4.985 4.350 -0.000 0.000 0.284 413 T C 0.363 175.055 174.700 -0.014 0.000 1.017 413 T CA -0.789 61.308 62.100 -0.004 0.000 1.022 413 T CB 1.749 70.615 68.868 -0.004 0.000 1.013 413 T HN 0.000 nan 8.240 nan 0.000 0.465 414 I N 2.718 123.270 120.570 -0.031 0.000 2.325 414 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 414 I C 0.153 176.251 176.117 -0.033 0.000 1.019 414 I CA -0.538 60.733 61.300 -0.049 0.000 1.302 414 I CB 1.158 39.093 38.000 -0.108 0.000 1.401 414 I HN 0.698 nan 8.210 nan 0.000 0.485 415 T N 7.650 122.197 114.554 -0.012 0.000 2.756 415 T HA 0.511 4.861 4.350 -0.000 0.000 0.290 415 T C -0.105 174.621 174.700 0.043 0.000 0.985 415 T CA -0.474 61.643 62.100 0.028 0.000 0.955 415 T CB 0.784 69.651 68.868 -0.002 0.000 0.930 415 T HN 0.286 nan 8.240 nan 0.000 0.451 416 L N 5.425 126.694 121.223 0.078 0.000 2.289 416 L HA 0.415 4.755 4.340 -0.000 0.000 0.285 416 L C -2.249 174.709 176.870 0.146 0.000 1.049 416 L CA -2.562 52.329 54.840 0.086 0.000 0.804 416 L CB 1.322 43.420 42.059 0.065 0.000 1.195 416 L HN 0.303 nan 8.230 nan 0.000 0.428 417 P HA 0.130 nan 4.420 nan 0.000 0.270 417 P C -1.000 176.399 177.300 0.166 0.000 1.242 417 P CA -0.216 62.965 63.100 0.134 0.000 0.768 417 P CB 0.489 32.249 31.700 0.100 0.000 0.820 418 c N 4.160 122.865 118.600 0.176 0.000 2.913 418 c HA 0.860 5.430 4.570 -0.000 0.000 0.322 418 c C -0.054 174.093 174.090 0.095 0.000 1.292 418 c CA -0.564 55.879 56.329 0.190 0.000 1.649 418 c CB 2.274 44.958 42.510 0.290 0.000 2.139 418 c HN 0.661 nan 8.230 nan 0.000 0.475 419 R N 0.253 120.784 120.500 0.051 0.000 2.594 419 R HA 0.692 5.032 4.340 -0.000 0.000 0.265 419 R C -2.258 173.979 176.300 -0.106 0.000 1.070 419 R CA -0.585 55.488 56.100 -0.046 0.000 0.909 419 R CB 0.634 30.927 30.300 -0.012 0.000 1.243 419 R HN 0.459 nan 8.270 nan 0.000 0.455 420 I N 2.444 122.888 120.570 -0.210 0.000 2.365 420 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 420 I C -0.039 176.065 176.117 -0.021 0.000 1.004 420 I CA -0.020 61.171 61.300 -0.182 0.000 1.311 420 I CB 1.348 39.182 38.000 -0.276 0.000 1.401 420 I HN 0.484 nan 8.210 nan 0.000 0.491 421 K N 5.077 125.545 120.400 0.113 0.000 2.267 421 K HA 0.451 4.771 4.320 -0.000 0.000 0.246 421 K C -0.033 176.672 176.600 0.175 0.000 0.954 421 K CA -0.762 55.560 56.287 0.058 0.000 0.824 421 K CB 1.930 34.349 32.500 -0.134 0.000 1.167 421 K HN 0.314 nan 8.250 nan 0.000 0.431 422 Q N 0.480 120.349 119.800 0.114 0.000 2.390 422 Q HA 0.245 4.585 4.340 -0.000 0.000 0.216 422 Q C 0.099 176.188 176.000 0.148 0.000 0.916 422 Q CA 0.700 56.612 55.803 0.182 0.000 0.911 422 Q CB 0.477 29.285 28.738 0.117 0.000 1.035 422 Q HN 0.489 nan 8.270 nan 0.000 0.541 423 I N 3.170 123.763 120.570 0.039 0.000 2.269 423 I HA 0.219 4.389 4.170 -0.000 0.000 0.293 423 I C -0.109 175.983 176.117 -0.042 0.000 1.106 423 I CA -0.447 60.843 61.300 -0.016 0.000 1.248 423 I CB -0.061 37.908 38.000 -0.051 0.000 1.444 423 I HN 0.145 nan 8.210 nan 0.000 0.497 424 I N 2.914 123.467 120.570 -0.028 0.000 2.863 424 I HA 0.583 4.753 4.170 -0.000 0.000 0.311 424 I C -0.468 175.576 176.117 -0.121 0.000 1.026 424 I CA -0.967 60.285 61.300 -0.079 0.000 1.077 424 I CB 1.671 39.594 38.000 -0.128 0.000 1.262 424 I HN 0.239 nan 8.210 nan 0.000 0.461 425 N N 4.118 122.703 118.700 -0.191 0.000 2.434 425 N HA 0.407 5.147 4.740 -0.000 0.000 0.272 425 N C -0.672 174.750 175.510 -0.146 0.000 1.040 425 N CA -0.331 52.617 53.050 -0.169 0.000 0.956 425 N CB 1.596 39.971 38.487 -0.186 0.000 1.108 425 N HN 0.623 nan 8.380 nan 0.000 0.481 426 M N 1.797 121.352 119.600 -0.076 0.000 2.245 426 M HA 0.050 4.530 4.480 -0.000 0.000 0.344 426 M C 1.452 177.743 176.300 -0.016 0.000 1.170 426 M CA -0.009 55.265 55.300 -0.044 0.000 1.135 426 M CB 0.835 33.371 32.600 -0.107 0.000 1.574 426 M HN 0.683 nan 8.290 nan 0.000 0.452 427 W N 1.536 122.830 121.300 -0.010 0.000 2.640 427 W HA 0.032 4.692 4.660 -0.000 0.000 0.268 427 W C 0.904 177.431 176.519 0.014 0.000 1.263 427 W CA 0.187 57.539 57.345 0.012 0.000 1.344 427 W CB -0.685 28.829 29.460 0.089 0.000 1.093 427 W HN 0.629 nan 8.180 nan 0.000 0.603 428 Q N 2.146 121.370 119.800 -0.961 0.000 2.002 428 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 428 Q C 0.874 176.708 176.000 -0.277 0.000 0.988 428 Q CA 2.471 57.749 55.803 -0.874 0.000 0.843 428 Q CB -0.287 27.931 28.738 -0.868 0.000 0.908 428 Q HN 0.441 nan 8.270 nan 0.000 0.420 429 K N -2.084 118.192 120.400 -0.207 0.000 2.466 429 K HA 0.555 4.875 4.320 -0.000 0.000 0.277 429 K C -1.090 175.466 176.600 -0.074 0.000 1.039 429 K CA -0.929 55.302 56.287 -0.095 0.000 0.904 429 K CB 1.205 33.654 32.500 -0.086 0.000 1.506 429 K HN -0.217 nan 8.250 nan 0.000 0.441 430 V N 0.782 120.667 119.914 -0.049 0.000 2.446 430 V HA 0.500 4.620 4.120 -0.000 0.000 0.276 430 V C 0.379 176.440 176.094 -0.054 0.000 1.030 430 V CA 1.173 63.446 62.300 -0.045 0.000 1.033 430 V CB -0.108 31.695 31.823 -0.033 0.000 0.993 430 V HN 0.925 nan 8.190 nan 0.000 0.477 431 G N 4.951 113.714 108.800 -0.061 0.000 2.358 431 G HA2 0.278 4.238 3.960 -0.000 0.000 0.301 431 G HA3 0.278 4.238 3.960 -0.000 0.000 0.301 431 G C -1.455 173.402 174.900 -0.072 0.000 1.539 431 G CA -0.973 44.089 45.100 -0.064 0.000 0.893 431 G HN 0.492 nan 8.290 nan 0.000 0.636 432 K N -0.423 119.933 120.400 -0.073 0.000 2.123 432 K HA 0.846 5.166 4.320 -0.000 0.000 0.248 432 K C -0.165 176.379 176.600 -0.093 0.000 0.969 432 K CA -0.418 55.820 56.287 -0.081 0.000 0.882 432 K CB 2.191 34.645 32.500 -0.078 0.000 1.080 432 K HN 1.003 nan 8.250 nan 0.000 0.441 433 A N 2.059 124.814 122.820 -0.109 0.000 2.515 433 A HA 0.631 4.951 4.320 -0.000 0.000 0.298 433 A C -1.503 175.953 177.584 -0.214 0.000 1.059 433 A CA -0.734 51.191 52.037 -0.187 0.000 0.698 433 A CB 1.609 20.479 19.000 -0.218 0.000 1.289 433 A HN 0.739 nan 8.150 nan 0.000 0.404 434 M N 1.922 121.346 119.600 -0.294 0.000 2.321 434 M HA 0.668 5.147 4.480 -0.000 0.000 0.315 434 M C -1.953 174.173 176.300 -0.290 0.000 1.052 434 M CA -0.396 54.793 55.300 -0.184 0.000 0.936 434 M CB 1.297 33.840 32.600 -0.095 0.000 1.639 434 M HN 0.769 nan 8.290 nan 0.000 0.433 435 Y N 1.569 121.910 120.300 0.069 0.000 2.618 435 Y HA 0.783 5.333 4.550 -0.000 0.000 0.326 435 Y C 0.555 176.495 175.900 0.067 0.000 1.168 435 Y CA -0.673 57.484 58.100 0.094 0.000 1.269 435 Y CB 1.191 39.759 38.460 0.180 0.000 1.388 435 Y HN 0.742 nan 8.280 nan 0.000 0.528 436 A N 1.236 124.203 122.820 0.246 0.000 2.313 436 A HA 0.515 4.835 4.320 -0.000 0.000 0.261 436 A C -2.468 175.184 177.584 0.114 0.000 1.090 436 A CA -1.420 50.697 52.037 0.134 0.000 0.807 436 A CB -0.582 18.480 19.000 0.104 0.000 1.055 436 A HN 0.466 nan 8.150 nan 0.000 0.492 437 P HA 0.241 nan 4.420 nan 0.000 0.271 437 P C -2.420 174.904 177.300 0.040 0.000 1.244 437 P CA -0.820 62.310 63.100 0.049 0.000 0.793 437 P CB -0.554 31.166 31.700 0.032 0.000 0.984 438 P HA -0.002 nan 4.420 nan 0.000 0.269 438 P C 0.506 177.815 177.300 0.015 0.000 1.211 438 P CA 0.566 63.672 63.100 0.010 0.000 0.781 438 P CB 0.209 31.908 31.700 -0.002 0.000 0.877 439 I N -0.315 120.263 120.570 0.014 0.000 4.809 439 I HA -0.082 4.088 4.170 -0.000 0.000 0.209 439 I C 2.150 178.277 176.117 0.017 0.000 0.969 439 I CA 0.504 61.814 61.300 0.016 0.000 1.498 439 I CB -1.202 36.807 38.000 0.014 0.000 1.359 439 I HN 0.354 nan 8.210 nan 0.000 0.433 440 S N -0.133 115.578 115.700 0.019 0.000 2.359 440 S HA 0.095 4.565 4.470 -0.000 0.000 0.186 440 S C 1.243 175.855 174.600 0.020 0.000 1.163 440 S CA 1.343 59.555 58.200 0.019 0.000 1.479 440 S CB -0.198 63.014 63.200 0.020 0.000 0.880 440 S HN 0.747 nan 8.310 nan 0.000 0.395 441 G N -0.344 108.470 108.800 0.024 0.000 3.988 441 G HA2 0.233 4.193 3.960 -0.000 0.000 0.195 441 G HA3 0.233 4.193 3.960 -0.000 0.000 0.195 441 G C -0.527 174.394 174.900 0.034 0.000 1.060 441 G CA -0.288 44.828 45.100 0.027 0.000 0.847 441 G HN 0.468 nan 8.290 nan 0.000 0.515 442 Q N 0.504 120.326 119.800 0.036 0.000 2.292 442 Q HA 0.588 4.928 4.340 -0.000 0.000 0.270 442 Q C -1.342 174.688 176.000 0.049 0.000 1.024 442 Q CA -0.409 55.419 55.803 0.042 0.000 0.768 442 Q CB 2.526 31.285 28.738 0.034 0.000 1.250 442 Q HN 0.264 nan 8.270 nan 0.000 0.447 443 I N 3.214 123.828 120.570 0.072 0.000 2.466 443 I HA 0.405 4.575 4.170 -0.000 0.000 0.279 443 I C -0.573 175.581 176.117 0.063 0.000 1.033 443 I CA -0.681 60.673 61.300 0.091 0.000 1.123 443 I CB 0.937 39.051 38.000 0.190 0.000 1.237 443 I HN 0.252 nan 8.210 nan 0.000 0.460 444 R N 4.372 124.880 120.500 0.014 0.000 2.445 444 R HA 0.662 5.002 4.340 -0.000 0.000 0.308 444 R C -1.385 174.881 176.300 -0.057 0.000 0.961 444 R CA -0.583 55.505 56.100 -0.021 0.000 0.862 444 R CB 2.029 32.322 30.300 -0.012 0.000 1.144 444 R HN 0.533 nan 8.270 nan 0.000 0.447 445 c N 1.383 119.925 118.600 -0.097 0.000 2.620 445 c HA 0.290 4.860 4.570 -0.000 0.000 0.356 445 c C 0.240 174.251 174.090 -0.131 0.000 1.082 445 c CA -0.736 55.521 56.329 -0.120 0.000 1.293 445 c CB 1.595 44.008 42.510 -0.163 0.000 1.836 445 c HN 0.783 nan 8.230 nan 0.000 0.453 446 S N 2.750 118.387 115.700 -0.105 0.000 2.480 446 S HA 0.788 5.258 4.470 -0.000 0.000 0.286 446 S C -0.149 174.379 174.600 -0.119 0.000 1.180 446 S CA -0.042 58.096 58.200 -0.104 0.000 1.075 446 S CB 0.532 63.689 63.200 -0.071 0.000 0.996 446 S HN 0.795 nan 8.310 nan 0.000 0.487 447 S N 3.806 119.420 115.700 -0.142 0.000 2.570 447 S HA 0.507 4.977 4.470 -0.000 0.000 0.286 447 S C -1.171 173.362 174.600 -0.110 0.000 1.099 447 S CA -0.965 57.149 58.200 -0.143 0.000 0.913 447 S CB 1.303 64.374 63.200 -0.216 0.000 1.085 447 S HN 0.757 nan 8.310 nan 0.000 0.480 448 N N 1.756 120.407 118.700 -0.080 0.000 2.437 448 N HA 0.415 5.155 4.740 -0.000 0.000 0.259 448 N C -0.810 174.678 175.510 -0.037 0.000 0.983 448 N CA -0.337 52.683 53.050 -0.051 0.000 0.937 448 N CB 0.467 38.935 38.487 -0.032 0.000 1.122 448 N HN 0.520 nan 8.380 nan 0.000 0.499 449 I N 1.853 122.409 120.570 -0.024 0.000 2.389 449 I HA 0.005 4.175 4.170 -0.000 0.000 0.295 449 I C 1.585 177.725 176.117 0.040 0.000 1.117 449 I CA 0.029 61.337 61.300 0.014 0.000 1.317 449 I CB 0.111 38.143 38.000 0.053 0.000 1.431 449 I HN 0.586 nan 8.210 nan 0.000 0.521 450 T N 1.404 115.977 114.554 0.032 0.000 3.039 450 T HA 0.229 4.579 4.350 -0.000 0.000 0.250 450 T C 0.825 175.545 174.700 0.033 0.000 1.052 450 T CA 0.265 62.382 62.100 0.028 0.000 1.125 450 T CB 0.425 69.309 68.868 0.026 0.000 0.908 450 T HN 0.596 nan 8.240 nan 0.000 0.473 451 G N 0.489 109.319 108.800 0.050 0.000 2.798 451 G HA2 0.660 4.620 3.960 -0.000 0.000 0.286 451 G HA3 0.660 4.620 3.960 -0.000 0.000 0.286 451 G C -2.139 172.819 174.900 0.098 0.000 1.389 451 G CA -1.018 44.113 45.100 0.053 0.000 0.894 451 G HN 0.294 nan 8.290 nan 0.000 0.488 452 L N -0.935 120.349 121.223 0.103 0.000 2.434 452 L HA 0.576 4.916 4.340 -0.000 0.000 0.260 452 L C -0.626 176.318 176.870 0.124 0.000 0.983 452 L CA -0.410 54.526 54.840 0.161 0.000 0.820 452 L CB 2.286 44.485 42.059 0.233 0.000 1.361 452 L HN 0.375 nan 8.230 nan 0.000 0.410 453 L N 3.329 124.628 121.223 0.126 0.000 2.305 453 L HA 0.694 5.034 4.340 -0.000 0.000 0.284 453 L C -0.864 176.061 176.870 0.092 0.000 1.013 453 L CA -0.393 54.502 54.840 0.092 0.000 0.819 453 L CB 1.387 43.484 42.059 0.063 0.000 1.227 453 L HN 0.404 nan 8.230 nan 0.000 0.417 454 L N 2.138 123.425 121.223 0.108 0.000 2.309 454 L HA 0.749 5.088 4.340 -0.000 0.000 0.261 454 L C -0.164 176.783 176.870 0.128 0.000 1.021 454 L CA -0.673 54.249 54.840 0.137 0.000 0.823 454 L CB 2.636 44.840 42.059 0.241 0.000 1.366 454 L HN 0.573 nan 8.230 nan 0.000 0.423 455 T N -1.806 112.822 114.554 0.123 0.000 2.893 455 T HA 0.516 4.866 4.350 -0.000 0.000 0.293 455 T C -0.617 174.102 174.700 0.031 0.000 1.027 455 T CA -0.884 61.254 62.100 0.062 0.000 0.988 455 T CB 2.331 71.197 68.868 -0.003 0.000 1.043 455 T HN 0.565 nan 8.240 nan 0.000 0.461 456 R N 1.172 121.643 120.500 -0.049 0.000 2.404 456 R HA 0.350 4.690 4.340 -0.000 0.000 0.291 456 R C -0.087 176.030 176.300 -0.305 0.000 1.025 456 R CA -0.465 55.443 56.100 -0.321 0.000 0.991 456 R CB 0.793 30.926 30.300 -0.278 0.000 1.053 456 R HN 0.719 nan 8.270 nan 0.000 0.479 457 D N 1.598 121.749 120.400 -0.415 0.000 2.113 457 D HA 0.119 4.759 4.640 -0.000 0.000 0.206 457 D C 0.894 177.051 176.300 -0.238 0.000 0.979 457 D CA 1.613 55.447 54.000 -0.277 0.000 0.862 457 D CB -0.437 40.201 40.800 -0.270 0.000 1.013 457 D HN 0.783 nan 8.370 nan 0.000 0.455 458 G N -0.604 108.024 108.800 -0.286 0.000 2.645 458 G HA2 0.262 4.222 3.960 -0.000 0.000 0.246 458 G HA3 0.262 4.222 3.960 -0.000 0.000 0.246 458 G C 0.527 175.341 174.900 -0.144 0.000 1.322 458 G CA -0.018 44.953 45.100 -0.214 0.000 0.898 458 G HN 1.137 nan 8.290 nan 0.000 0.573 459 G N -2.378 106.360 108.800 -0.103 0.000 2.278 459 G HA2 0.397 4.357 3.960 -0.000 0.000 0.265 459 G HA3 0.397 4.357 3.960 -0.000 0.000 0.265 459 G C -0.011 174.856 174.900 -0.055 0.000 1.329 459 G CA 0.637 45.693 45.100 -0.074 0.000 1.017 459 G HN 1.549 nan 8.290 nan 0.000 0.472 460 N N -0.133 118.541 118.700 -0.044 0.000 2.171 460 N HA 0.195 4.935 4.740 -0.000 0.000 0.212 460 N C 1.546 177.039 175.510 -0.029 0.000 1.184 460 N CA 0.958 53.989 53.050 -0.032 0.000 0.888 460 N CB 0.896 39.368 38.487 -0.025 0.000 1.038 460 N HN 0.736 nan 8.380 nan 0.000 0.517 461 S N -1.262 114.417 115.700 -0.036 0.000 2.593 461 S HA 0.269 4.739 4.470 -0.000 0.000 0.236 461 S C -0.008 174.571 174.600 -0.036 0.000 0.991 461 S CA -0.603 57.579 58.200 -0.031 0.000 0.963 461 S CB -0.217 62.966 63.200 -0.029 0.000 0.865 461 S HN -0.076 nan 8.310 nan 0.000 0.488 462 N N 3.805 122.477 118.700 -0.047 0.000 2.415 462 N HA 0.358 5.098 4.740 -0.000 0.000 0.250 462 N C -1.374 174.115 175.510 -0.035 0.000 1.127 462 N CA 0.013 53.029 53.050 -0.057 0.000 0.945 462 N CB 0.262 38.692 38.487 -0.094 0.000 1.196 462 N HN 0.290 nan 8.380 nan 0.000 0.499 463 N N 1.340 120.028 118.700 -0.020 0.000 2.479 463 N HA 0.190 4.929 4.740 -0.000 0.000 0.261 463 N C -0.611 174.907 175.510 0.014 0.000 0.979 463 N CA -0.430 52.619 53.050 -0.001 0.000 0.930 463 N CB 0.932 39.419 38.487 0.001 0.000 1.172 463 N HN 0.357 nan 8.380 nan 0.000 0.499 464 E N -0.170 120.048 120.200 0.029 0.000 2.389 464 E HA -0.190 4.160 4.350 -0.000 0.000 0.243 464 E C -1.169 175.472 176.600 0.069 0.000 1.154 464 E CA 0.581 57.018 56.400 0.060 0.000 0.723 464 E CB -1.464 28.276 29.700 0.067 0.000 1.261 464 E HN 0.623 nan 8.360 nan 0.000 0.390 465 S N -0.236 115.479 115.700 0.024 0.000 2.605 465 S HA 0.433 4.903 4.470 -0.000 0.000 0.279 465 S C -0.998 173.551 174.600 -0.084 0.000 1.166 465 S CA -1.139 57.064 58.200 0.004 0.000 0.975 465 S CB 1.941 65.145 63.200 0.006 0.000 1.111 465 S HN 0.098 nan 8.310 nan 0.000 0.465 466 E N 2.685 122.817 120.200 -0.114 0.000 2.199 466 E HA 0.519 4.868 4.350 -0.000 0.000 0.265 466 E C -0.783 175.588 176.600 -0.381 0.000 0.882 466 E CA -0.502 55.716 56.400 -0.303 0.000 0.759 466 E CB 2.227 31.742 29.700 -0.308 0.000 1.148 466 E HN 0.737 nan 8.360 nan 0.000 0.412 467 I N 2.678 122.916 120.570 -0.554 0.000 2.412 467 I HA 0.412 4.582 4.170 -0.000 0.000 0.296 467 I C -0.562 175.126 176.117 -0.715 0.000 0.987 467 I CA -0.733 60.295 61.300 -0.452 0.000 1.180 467 I CB 0.793 38.638 38.000 -0.258 0.000 1.340 467 I HN 0.288 nan 8.210 nan 0.000 0.455 468 F N 4.577 124.373 119.950 -0.257 0.000 2.529 468 F HA 0.584 5.111 4.527 -0.000 0.000 0.320 468 F C 0.074 175.872 175.800 -0.003 0.000 1.118 468 F CA -0.648 57.267 58.000 -0.142 0.000 0.915 468 F CB 1.658 40.561 39.000 -0.161 0.000 1.161 468 F HN 0.277 nan 8.300 nan 0.000 0.445 469 R N 2.716 123.285 120.500 0.115 0.000 2.778 469 R HA 0.506 4.846 4.340 -0.000 0.000 0.277 469 R C -2.841 173.375 176.300 -0.140 0.000 0.977 469 R CA -2.270 53.820 56.100 -0.017 0.000 0.950 469 R CB 1.404 31.679 30.300 -0.041 0.000 1.165 469 R HN 0.237 nan 8.270 nan 0.000 0.474 470 P HA 0.026 nan 4.420 nan 0.000 0.267 470 P C -0.519 176.699 177.300 -0.137 0.000 1.209 470 P CA 0.256 63.083 63.100 -0.455 0.000 0.763 470 P CB 1.121 32.381 31.700 -0.734 0.000 0.816 471 G N 1.471 110.247 108.800 -0.041 0.000 3.252 471 G HA2 0.796 4.755 3.960 -0.000 0.000 0.181 471 G HA3 0.796 4.755 3.960 -0.000 0.000 0.181 471 G C -0.122 174.800 174.900 0.038 0.000 1.187 471 G CA -0.497 44.606 45.100 0.005 0.000 0.886 471 G HN 0.776 nan 8.290 nan 0.000 0.615 472 G N -3.149 105.672 108.800 0.035 0.000 2.373 472 G HA2 0.493 4.453 3.960 -0.000 0.000 0.634 472 G HA3 0.493 4.453 3.960 -0.000 0.000 0.634 472 G C 0.646 175.572 174.900 0.044 0.000 1.267 472 G CA 0.845 45.969 45.100 0.039 0.000 1.008 472 G HN 2.460 nan 8.290 nan 0.000 0.497 473 G N -0.954 107.878 108.800 0.053 0.000 2.909 473 G HA2 0.022 3.982 3.960 -0.000 0.000 0.198 473 G HA3 0.022 3.982 3.960 -0.000 0.000 0.198 473 G C 0.113 175.063 174.900 0.083 0.000 1.124 473 G CA 1.040 46.188 45.100 0.079 0.000 0.796 473 G HN 1.619 nan 8.290 nan 0.000 0.489 474 D N 2.126 122.551 120.400 0.042 0.000 2.352 474 D HA 0.437 5.077 4.640 -0.000 0.000 0.245 474 D C 1.972 178.247 176.300 -0.043 0.000 1.224 474 D CA -0.437 53.588 54.000 0.042 0.000 0.879 474 D CB 0.469 41.281 40.800 0.019 0.000 1.057 474 D HN 0.087 nan 8.370 nan 0.000 0.491 475 M N 3.035 122.641 119.600 0.010 0.000 2.446 475 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 475 M C 1.709 177.548 176.300 -0.768 0.000 1.066 475 M CA 0.897 55.988 55.300 -0.348 0.000 1.087 475 M CB -0.506 32.001 32.600 -0.156 0.000 1.406 475 M HN 0.408 nan 8.290 nan 0.000 0.459 476 R N 0.301 120.665 120.500 -0.228 0.000 2.127 476 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 476 R C 1.537 177.705 176.300 -0.219 0.000 1.134 476 R CA 1.205 57.219 56.100 -0.145 0.000 0.975 476 R CB -0.277 30.019 30.300 -0.007 0.000 0.865 476 R HN 0.371 nan 8.270 nan 0.000 0.447 477 D N 0.193 120.470 120.400 -0.204 0.000 2.178 477 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 477 D C 1.305 177.477 176.300 -0.214 0.000 0.974 477 D CA 1.085 55.021 54.000 -0.107 0.000 0.841 477 D CB -0.284 40.496 40.800 -0.033 0.000 0.953 477 D HN 0.178 nan 8.370 nan 0.000 0.478 478 N N -0.132 118.262 118.700 -0.509 0.000 2.244 478 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 478 N C 1.606 176.996 175.510 -0.199 0.000 1.016 478 N CA 0.778 53.513 53.050 -0.525 0.000 0.866 478 N CB -0.364 37.538 38.487 -0.975 0.000 0.980 478 N HN 0.473 nan 8.380 nan 0.000 0.430 479 W N 0.821 122.150 121.300 0.048 0.000 2.443 479 W HA 0.139 4.799 4.660 -0.000 0.000 0.296 479 W C 2.078 178.619 176.519 0.036 0.000 1.202 479 W CA -0.509 56.858 57.345 0.035 0.000 1.312 479 W CB -0.150 29.331 29.460 0.035 0.000 1.120 479 W HN -0.101 nan 8.180 nan 0.000 0.536 480 R N 1.041 121.641 120.500 0.167 0.000 2.159 480 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 480 R C 2.277 178.610 176.300 0.055 0.000 1.131 480 R CA 1.762 57.891 56.100 0.049 0.000 0.982 480 R CB -0.732 29.510 30.300 -0.096 0.000 0.868 480 R HN 0.197 nan 8.270 nan 0.000 0.453 481 S N 0.089 115.827 115.700 0.062 0.000 2.515 481 S HA -0.036 4.434 4.470 -0.000 0.000 0.231 481 S C 1.364 176.109 174.600 0.241 0.000 0.987 481 S CA 0.686 58.923 58.200 0.062 0.000 0.936 481 S CB 0.187 63.402 63.200 0.024 0.000 0.766 481 S HN 0.235 nan 8.310 nan 0.000 0.528 482 E N 0.898 121.289 120.200 0.317 0.000 2.354 482 E HA 0.297 4.647 4.350 -0.000 0.000 0.203 482 E C 1.267 178.120 176.600 0.422 0.000 0.841 482 E CA 0.255 56.900 56.400 0.407 0.000 1.046 482 E CB -0.169 29.725 29.700 0.324 0.000 1.040 482 E HN 0.478 nan 8.360 nan 0.000 0.504 483 L N 2.467 123.876 121.223 0.309 0.000 2.672 483 L HA 0.083 4.423 4.340 -0.000 0.000 0.236 483 L C 1.674 178.697 176.870 0.255 0.000 1.186 483 L CA -0.093 54.930 54.840 0.305 0.000 0.977 483 L CB -0.574 41.566 42.059 0.134 0.000 1.203 483 L HN 0.174 nan 8.230 nan 0.000 0.448 484 Y N 0.405 120.777 120.300 0.120 0.000 2.516 484 Y HA -0.064 4.486 4.550 -0.000 0.000 0.291 484 Y C 1.558 177.481 175.900 0.039 0.000 1.131 484 Y CA 0.194 58.292 58.100 -0.004 0.000 1.281 484 Y CB -0.375 38.018 38.460 -0.111 0.000 1.013 484 Y HN 0.228 nan 8.280 nan 0.000 0.554 485 K N -0.766 119.220 120.400 -0.690 0.000 2.726 485 K HA 0.289 4.608 4.320 -0.000 0.000 0.209 485 K C -1.660 174.511 176.600 -0.714 0.000 1.082 485 K CA -0.395 55.390 56.287 -0.836 0.000 1.081 485 K CB -0.397 31.387 32.500 -1.194 0.000 0.830 485 K HN 0.249 nan 8.250 nan 0.000 0.470 486 Y N 1.177 121.515 120.300 0.063 0.000 2.421 486 Y HA 0.329 4.879 4.550 -0.000 0.000 0.339 486 Y C -0.789 175.243 175.900 0.220 0.000 0.996 486 Y CA -0.998 57.190 58.100 0.148 0.000 1.046 486 Y CB 2.457 40.932 38.460 0.025 0.000 1.226 486 Y HN 0.028 nan 8.280 nan 0.000 0.445 487 K N 3.394 123.975 120.400 0.302 0.000 2.640 487 K HA 0.509 4.829 4.320 -0.000 0.000 0.245 487 K C -1.710 174.893 176.600 0.004 0.000 0.962 487 K CA -0.690 55.615 56.287 0.029 0.000 0.896 487 K CB 1.662 33.904 32.500 -0.430 0.000 1.147 487 K HN 0.582 nan 8.250 nan 0.000 0.445 488 V N 5.165 125.093 119.914 0.023 0.000 2.521 488 V HA 0.308 4.428 4.120 -0.000 0.000 0.286 488 V C -0.820 175.309 176.094 0.059 0.000 1.034 488 V CA 0.134 62.451 62.300 0.029 0.000 1.045 488 V CB 1.140 32.956 31.823 -0.012 0.000 0.974 488 V HN 0.581 nan 8.190 nan 0.000 0.480 489 V N 6.323 126.305 119.914 0.114 0.000 3.040 489 V HA 0.700 4.820 4.120 -0.000 0.000 0.312 489 V C -0.534 175.743 176.094 0.305 0.000 1.115 489 V CA -1.009 61.386 62.300 0.158 0.000 0.998 489 V CB 2.549 34.387 31.823 0.026 0.000 1.042 489 V HN 1.134 nan 8.190 nan 0.000 0.433 490 K N 4.610 125.164 120.400 0.256 0.000 2.159 490 K HA 0.590 4.910 4.320 -0.000 0.000 0.266 490 K C -1.125 175.476 176.600 0.002 0.000 0.975 490 K CA -0.133 56.175 56.287 0.036 0.000 0.865 490 K CB 1.221 33.740 32.500 0.032 0.000 1.087 490 K HN 0.583 nan 8.250 nan 0.000 0.446 491 I N 5.099 125.591 120.570 -0.129 0.000 2.315 491 I HA 0.221 4.390 4.170 -0.000 0.000 0.291 491 I C 0.262 176.345 176.117 -0.057 0.000 1.006 491 I CA -0.457 60.831 61.300 -0.021 0.000 1.265 491 I CB 1.014 39.002 38.000 -0.019 0.000 1.387 491 I HN 0.754 nan 8.210 nan 0.000 0.475 492 E N 6.935 127.137 120.200 0.002 0.000 2.339 492 E HA 0.602 4.952 4.350 -0.000 0.000 0.262 492 E C -2.704 173.896 176.600 0.000 0.000 0.934 492 E CA -2.465 53.925 56.400 -0.017 0.000 0.802 492 E CB 0.476 30.165 29.700 -0.018 0.000 1.275 492 E HN 0.176 nan 8.360 nan 0.000 0.427 493 P HA -0.104 nan 4.420 nan 0.000 0.266 493 P C -0.323 176.981 177.300 0.006 0.000 1.180 493 P CA 0.140 63.240 63.100 0.000 0.000 0.765 493 P CB 0.232 31.929 31.700 -0.005 0.000 0.806 494 L N 1.286 122.519 121.223 0.017 0.000 2.505 494 L HA 0.540 4.880 4.340 -0.000 0.000 0.226 494 L C 1.436 178.315 176.870 0.014 0.000 1.211 494 L CA 0.501 55.356 54.840 0.025 0.000 0.828 494 L CB -0.756 41.329 42.059 0.044 0.000 1.331 494 L HN 0.593 nan 8.230 nan 0.000 0.513 495 G N -0.811 108.001 108.800 0.021 0.000 3.085 495 G HA2 0.647 4.607 3.960 -0.000 0.000 0.264 495 G HA3 0.647 4.607 3.960 -0.000 0.000 0.264 495 G C -0.844 174.085 174.900 0.048 0.000 1.206 495 G CA 0.181 45.292 45.100 0.019 0.000 0.809 495 G HN 0.556 nan 8.290 nan 0.000 0.592 496 V N -2.827 117.115 119.914 0.047 0.000 3.181 496 V HA 0.949 5.069 4.120 -0.000 0.000 0.314 496 V C 0.150 176.278 176.094 0.057 0.000 1.173 496 V CA -0.681 61.667 62.300 0.080 0.000 1.052 496 V CB 1.176 33.053 31.823 0.091 0.000 1.123 496 V HN 1.593 nan 8.190 nan 0.000 0.454 497 A N 0.796 123.662 122.820 0.077 0.000 2.325 497 A HA 0.938 5.258 4.320 -0.000 0.000 0.333 497 A C -2.096 175.493 177.584 0.009 0.000 1.155 497 A CA -1.477 50.576 52.037 0.026 0.000 0.814 497 A CB -0.118 18.888 19.000 0.009 0.000 1.206 497 A HN 0.909 nan 8.150 nan 0.000 0.482 498 P HA 0.380 nan 4.420 nan 0.000 0.272 498 P C 0.164 177.450 177.300 -0.025 0.000 1.254 498 P CA -0.072 63.016 63.100 -0.021 0.000 0.795 498 P CB 0.343 32.023 31.700 -0.033 0.000 1.022 499 T N 0.000 114.540 114.554 -0.024 0.000 3.816 499 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 499 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 499 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 499 T HN 0.000 nan 8.240 nan 0.000 0.658