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 3jsm_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFK KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXXXXX XXXXXXXXGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLSKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQ 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.614 174.600 0.023 0.000 1.055 3 S CA 0.000 58.212 58.200 0.019 0.000 1.107 3 S CB 0.000 63.212 63.200 0.021 0.000 0.593 4 P HA 0.246 nan 4.420 nan 0.000 0.257 4 P C -0.268 177.050 177.300 0.029 0.000 1.359 4 P CA 0.420 63.534 63.100 0.024 0.000 1.239 4 P CB -0.175 31.537 31.700 0.019 0.000 1.549 5 I N 1.304 121.895 120.570 0.035 0.000 3.775 5 I HA 0.431 4.601 4.170 -0.000 0.000 0.272 5 I C 0.635 176.779 176.117 0.046 0.000 1.292 5 I CA -0.977 60.350 61.300 0.044 0.000 1.050 5 I CB 1.201 39.230 38.000 0.050 0.000 1.422 5 I HN 0.160 nan 8.210 nan 0.000 0.561 6 E N 0.453 120.686 120.200 0.055 0.000 3.011 6 E HA 0.150 4.499 4.350 -0.000 0.000 0.315 6 E C -1.023 175.616 176.600 0.066 0.000 1.176 6 E CA -0.563 55.870 56.400 0.054 0.000 0.819 6 E CB 0.394 30.123 29.700 0.048 0.000 1.508 6 E HN 0.597 nan 8.360 nan 0.000 0.381 7 T N -0.679 113.915 114.554 0.066 0.000 2.978 7 T HA 0.245 4.594 4.350 -0.000 0.000 0.278 7 T C 0.860 175.604 174.700 0.073 0.000 0.945 7 T CA -0.472 61.673 62.100 0.075 0.000 1.070 7 T CB -0.087 68.825 68.868 0.074 0.000 0.948 7 T HN 0.470 nan 8.240 nan 0.000 0.617 8 V N 2.630 122.593 119.914 0.083 0.000 2.644 8 V HA 0.280 4.400 4.120 -0.000 0.000 0.305 8 V C -1.786 174.350 176.094 0.071 0.000 1.053 8 V CA -1.652 60.703 62.300 0.090 0.000 1.186 8 V CB -0.514 31.388 31.823 0.133 0.000 0.895 8 V HN 0.686 nan 8.190 nan 0.000 0.490 9 P HA 0.465 nan 4.420 nan 0.000 0.274 9 P C -0.837 176.447 177.300 -0.027 0.000 1.231 9 P CA -0.265 62.852 63.100 0.029 0.000 0.790 9 P CB 1.586 33.316 31.700 0.048 0.000 0.951 10 V N 1.444 121.255 119.914 -0.171 0.000 2.888 10 V HA 0.532 4.652 4.120 -0.000 0.000 0.309 10 V C -0.120 175.809 176.094 -0.275 0.000 1.114 10 V CA -0.639 61.402 62.300 -0.433 0.000 0.940 10 V CB 2.222 33.368 31.823 -1.128 0.000 1.021 10 V HN 0.600 nan 8.190 nan 0.000 0.426 11 K N 2.256 122.554 120.400 -0.170 0.000 2.482 11 K HA 0.765 5.085 4.320 -0.000 0.000 0.257 11 K C -1.484 175.119 176.600 0.005 0.000 0.969 11 K CA -0.815 55.470 56.287 -0.004 0.000 0.842 11 K CB 2.276 34.806 32.500 0.050 0.000 1.359 11 K HN 0.623 nan 8.250 nan 0.000 0.441 12 L N 2.731 123.977 121.223 0.039 0.000 2.399 12 L HA 0.355 4.695 4.340 -0.000 0.000 0.266 12 L C 0.467 177.357 176.870 0.034 0.000 1.114 12 L CA -0.728 54.122 54.840 0.017 0.000 0.804 12 L CB 0.826 42.836 42.059 -0.081 0.000 1.146 12 L HN 0.648 nan 8.230 nan 0.000 0.451 13 K N 1.690 122.113 120.400 0.039 0.000 2.443 13 K HA -0.029 4.290 4.320 -0.000 0.000 0.268 13 K C -2.152 174.465 176.600 0.028 0.000 0.971 13 K CA -0.784 55.521 56.287 0.030 0.000 0.902 13 K CB -0.263 32.253 32.500 0.027 0.000 0.950 13 K HN 0.401 nan 8.250 nan 0.000 0.525 14 P HA -0.074 nan 4.420 nan 0.000 0.264 14 P C -0.103 177.216 177.300 0.032 0.000 1.193 14 P CA 0.417 63.534 63.100 0.028 0.000 0.763 14 P CB 0.253 31.965 31.700 0.020 0.000 0.810 15 G N 3.784 112.607 108.800 0.040 0.000 2.306 15 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.274 15 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.274 15 G C -0.042 174.885 174.900 0.044 0.000 0.890 15 G CA -0.004 45.123 45.100 0.045 0.000 1.298 15 G HN 0.578 nan 8.290 nan 0.000 0.445 16 M N 1.083 120.709 119.600 0.043 0.000 2.149 16 M HA 0.172 4.652 4.480 -0.000 0.000 0.273 16 M C -0.598 175.716 176.300 0.023 0.000 0.972 16 M CA -0.849 54.472 55.300 0.035 0.000 0.984 16 M CB 1.651 34.265 32.600 0.024 0.000 1.699 16 M HN 0.247 nan 8.290 nan 0.000 0.462 17 D N 1.585 122.019 120.400 0.057 0.000 2.361 17 D HA 0.325 4.965 4.640 -0.000 0.000 0.239 17 D C 0.417 176.699 176.300 -0.029 0.000 1.200 17 D CA 0.672 54.725 54.000 0.087 0.000 0.915 17 D CB 1.378 42.288 40.800 0.184 0.000 1.170 17 D HN 0.762 nan 8.370 nan 0.000 0.444 18 G N 0.284 108.992 108.800 -0.154 0.000 2.588 18 G HA2 0.294 4.254 3.960 -0.000 0.000 0.278 18 G HA3 0.294 4.254 3.960 -0.000 0.000 0.278 18 G C -2.316 172.573 174.900 -0.019 0.000 1.307 18 G CA -0.701 44.174 45.100 -0.375 0.000 1.016 18 G HN 0.374 nan 8.290 nan 0.000 0.503 19 P HA 0.240 nan 4.420 nan 0.000 0.276 19 P C -0.982 176.455 177.300 0.228 0.000 1.235 19 P CA 0.060 63.238 63.100 0.131 0.000 0.772 19 P CB 1.047 32.817 31.700 0.117 0.000 0.871 20 K N 2.065 122.573 120.400 0.179 0.000 3.253 20 K HA 0.304 4.624 4.320 -0.000 0.000 0.174 20 K C -0.523 176.136 176.600 0.099 0.000 1.071 20 K CA -0.520 55.859 56.287 0.155 0.000 0.836 20 K CB 1.416 34.010 32.500 0.157 0.000 0.922 20 K HN 0.225 nan 8.250 nan 0.000 0.565 21 V N 0.667 120.631 119.914 0.082 0.000 2.612 21 V HA 0.358 4.478 4.120 -0.000 0.000 0.301 21 V C -0.583 175.529 176.094 0.029 0.000 1.046 21 V CA -0.623 61.719 62.300 0.070 0.000 0.946 21 V CB 1.332 33.203 31.823 0.081 0.000 1.003 21 V HN 0.335 nan 8.190 nan 0.000 0.459 22 K N 3.397 123.823 120.400 0.044 0.000 2.185 22 K HA 0.336 4.656 4.320 -0.000 0.000 0.271 22 K C -0.357 176.198 176.600 -0.075 0.000 1.013 22 K CA -0.376 55.915 56.287 0.007 0.000 0.943 22 K CB 0.967 33.494 32.500 0.046 0.000 0.998 22 K HN 0.743 nan 8.250 nan 0.000 0.468 23 Q N 3.066 122.786 119.800 -0.133 0.000 2.352 23 Q HA 0.060 4.400 4.340 -0.000 0.000 0.260 23 Q C -1.314 174.597 176.000 -0.148 0.000 0.976 23 Q CA 0.188 55.824 55.803 -0.278 0.000 0.881 23 Q CB 0.565 29.198 28.738 -0.175 0.000 1.235 23 Q HN 0.462 nan 8.270 nan 0.000 0.419 24 W N 2.598 123.879 121.300 -0.032 0.000 2.627 24 W HA 0.531 5.191 4.660 -0.000 0.000 0.339 24 W C -2.351 174.101 176.519 -0.112 0.000 1.058 24 W CA -2.543 54.759 57.345 -0.072 0.000 1.223 24 W CB -0.445 28.962 29.460 -0.088 0.000 1.389 24 W HN 0.503 nan 8.180 nan 0.000 0.541 25 P HA -0.100 nan 4.420 nan 0.000 0.263 25 P C -0.038 177.277 177.300 0.024 0.000 1.162 25 P CA 0.994 64.118 63.100 0.038 0.000 0.758 25 P CB 0.606 32.289 31.700 -0.028 0.000 0.773 26 L N 1.173 122.383 121.223 -0.021 0.000 2.242 26 L HA 0.600 4.940 4.340 -0.000 0.000 0.261 26 L C 0.536 177.356 176.870 -0.084 0.000 1.052 26 L CA -0.864 53.949 54.840 -0.045 0.000 0.972 26 L CB 1.253 43.299 42.059 -0.021 0.000 1.562 26 L HN 0.179 nan 8.230 nan 0.000 0.509 27 T N -1.605 112.893 114.554 -0.093 0.000 2.940 27 T HA 0.139 4.489 4.350 -0.000 0.000 0.288 27 T C 0.611 175.244 174.700 -0.111 0.000 1.033 27 T CA -0.493 61.549 62.100 -0.098 0.000 1.033 27 T CB 2.302 71.117 68.868 -0.089 0.000 1.079 27 T HN 0.674 nan 8.240 nan 0.000 0.496 28 E N 1.461 121.602 120.200 -0.097 0.000 2.033 28 E HA -0.290 4.060 4.350 -0.000 0.000 0.199 28 E C 1.815 178.317 176.600 -0.162 0.000 1.011 28 E CA 2.438 58.774 56.400 -0.106 0.000 0.815 28 E CB -0.123 29.529 29.700 -0.079 0.000 0.755 28 E HN 0.816 nan 8.360 nan 0.000 0.451 29 E N 0.642 120.739 120.200 -0.172 0.000 2.147 29 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 29 E C 1.999 178.256 176.600 -0.573 0.000 1.005 29 E CA 1.666 57.890 56.400 -0.295 0.000 0.810 29 E CB -0.221 29.378 29.700 -0.168 0.000 0.736 29 E HN 0.256 nan 8.360 nan 0.000 0.460 30 K N 0.391 120.532 120.400 -0.430 0.000 2.116 30 K HA 0.052 4.372 4.320 -0.000 0.000 0.203 30 K C 2.240 178.660 176.600 -0.299 0.000 1.052 30 K CA 1.135 57.155 56.287 -0.445 0.000 0.952 30 K CB -0.017 32.393 32.500 -0.151 0.000 0.729 30 K HN 0.214 nan 8.250 nan 0.000 0.446 31 I N 1.211 121.660 120.570 -0.202 0.000 2.439 31 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 31 I C 2.047 178.071 176.117 -0.155 0.000 1.139 31 I CA 1.107 62.325 61.300 -0.136 0.000 1.438 31 I CB -0.220 37.722 38.000 -0.096 0.000 1.085 31 I HN 0.131 nan 8.210 nan 0.000 0.427 32 K N 0.960 121.238 120.400 -0.203 0.000 2.211 32 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 32 K C 2.174 178.646 176.600 -0.215 0.000 1.050 32 K CA 1.309 57.486 56.287 -0.184 0.000 0.945 32 K CB -0.005 32.381 32.500 -0.190 0.000 0.732 32 K HN 0.300 nan 8.250 nan 0.000 0.451 33 A N 1.014 123.632 122.820 -0.337 0.000 1.861 33 A HA -0.044 4.275 4.320 -0.000 0.000 0.212 33 A C 1.907 179.397 177.584 -0.157 0.000 1.199 33 A CA 0.439 52.281 52.037 -0.325 0.000 0.613 33 A CB -0.514 18.074 19.000 -0.686 0.000 0.846 33 A HN 0.142 nan 8.150 nan 0.000 0.446 34 L N 0.121 121.258 121.223 -0.144 0.000 2.189 34 L HA -0.149 4.190 4.340 -0.000 0.000 0.214 34 L C 2.420 179.263 176.870 -0.046 0.000 1.097 34 L CA 1.822 56.626 54.840 -0.061 0.000 0.764 34 L CB -0.480 41.557 42.059 -0.036 0.000 0.900 34 L HN 0.320 nan 8.230 nan 0.000 0.436 35 V N -0.734 119.144 119.914 -0.061 0.000 2.599 35 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 35 V C 2.387 178.452 176.094 -0.049 0.000 1.046 35 V CA 1.429 63.707 62.300 -0.037 0.000 1.065 35 V CB 0.183 31.984 31.823 -0.036 0.000 0.703 35 V HN 0.465 nan 8.190 nan 0.000 0.464 36 E N -0.321 119.840 120.200 -0.064 0.000 2.204 36 E HA -0.160 4.189 4.350 -0.000 0.000 0.194 36 E C 2.020 178.590 176.600 -0.051 0.000 0.989 36 E CA 1.244 57.612 56.400 -0.052 0.000 0.824 36 E CB -0.040 29.629 29.700 -0.051 0.000 0.756 36 E HN 0.691 nan 8.360 nan 0.000 0.477 37 I N 0.095 120.631 120.570 -0.056 0.000 2.130 37 I HA -0.312 3.858 4.170 -0.000 0.000 0.234 37 I C 2.486 178.533 176.117 -0.116 0.000 1.067 37 I CA 0.665 61.928 61.300 -0.063 0.000 1.339 37 I CB -0.407 37.567 38.000 -0.043 0.000 1.073 37 I HN 0.271 nan 8.210 nan 0.000 0.405 38 C N 0.589 119.796 119.300 -0.154 0.000 2.396 38 C HA -0.224 4.236 4.460 -0.000 0.000 0.277 38 C C 2.988 177.827 174.990 -0.253 0.000 1.231 38 C CA 1.616 60.449 59.018 -0.308 0.000 1.775 38 C CB -1.396 26.067 27.740 -0.461 0.000 2.036 38 C HN 0.567 nan 8.230 nan 0.000 0.484 39 T N 0.254 114.734 114.554 -0.123 0.000 2.607 39 T HA -0.206 4.143 4.350 -0.000 0.000 0.267 39 T C 1.711 176.362 174.700 -0.082 0.000 1.049 39 T CA 1.998 64.059 62.100 -0.065 0.000 1.162 39 T CB -0.295 68.551 68.868 -0.037 0.000 0.863 39 T HN 0.522 nan 8.240 nan 0.000 0.424 40 E N 0.858 121.007 120.200 -0.085 0.000 2.031 40 E HA -0.003 4.346 4.350 -0.000 0.000 0.193 40 E C 2.219 178.748 176.600 -0.118 0.000 0.994 40 E CA 1.159 57.510 56.400 -0.082 0.000 0.800 40 E CB -0.421 29.239 29.700 -0.067 0.000 0.752 40 E HN 0.439 nan 8.360 nan 0.000 0.447 41 M N 0.034 119.532 119.600 -0.170 0.000 2.192 41 M HA -0.250 4.230 4.480 -0.000 0.000 0.259 41 M C 2.206 178.390 176.300 -0.193 0.000 1.071 41 M CA 1.709 56.871 55.300 -0.229 0.000 1.082 41 M CB -0.267 32.156 32.600 -0.294 0.000 1.373 41 M HN 0.186 nan 8.290 nan 0.000 0.408 42 E N 0.472 120.571 120.200 -0.168 0.000 2.140 42 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 42 E C 1.784 178.349 176.600 -0.057 0.000 0.973 42 E CA 0.572 56.912 56.400 -0.101 0.000 0.829 42 E CB 0.119 29.790 29.700 -0.048 0.000 0.781 42 E HN 0.328 nan 8.360 nan 0.000 0.466 43 K N 0.588 120.954 120.400 -0.056 0.000 2.574 43 K HA -0.110 4.210 4.320 -0.000 0.000 0.193 43 K C -0.022 176.556 176.600 -0.037 0.000 1.035 43 K CA 0.891 57.155 56.287 -0.038 0.000 0.982 43 K CB 0.146 32.624 32.500 -0.035 0.000 0.795 43 K HN 0.120 nan 8.250 nan 0.000 0.491 44 E N -1.000 119.170 120.200 -0.050 0.000 3.191 44 E HA 0.130 4.479 4.350 -0.000 0.000 0.192 44 E C 0.034 176.612 176.600 -0.036 0.000 0.972 44 E CA 0.019 56.395 56.400 -0.040 0.000 1.266 44 E CB 1.139 30.807 29.700 -0.053 0.000 1.076 44 E HN 0.338 nan 8.360 nan 0.000 0.462 45 G N 2.203 110.985 108.800 -0.030 0.000 2.402 45 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.300 45 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.300 45 G C 0.836 175.734 174.900 -0.004 0.000 0.987 45 G CA 1.280 46.372 45.100 -0.014 0.000 0.881 45 G HN 0.300 nan 8.290 nan 0.000 0.512 46 K N -0.845 119.531 120.400 -0.040 0.000 2.262 46 K HA 0.256 4.575 4.320 -0.000 0.000 0.200 46 K C 1.364 177.976 176.600 0.021 0.000 1.049 46 K CA 1.166 57.451 56.287 -0.003 0.000 0.979 46 K CB 0.279 32.687 32.500 -0.152 0.000 0.773 46 K HN 0.746 nan 8.250 nan 0.000 0.474 47 I N -2.480 118.032 120.570 -0.096 0.000 2.785 47 I HA 0.406 4.575 4.170 -0.000 0.000 0.302 47 I C -0.898 175.197 176.117 -0.036 0.000 1.069 47 I CA -0.999 60.212 61.300 -0.149 0.000 1.045 47 I CB 2.439 40.221 38.000 -0.363 0.000 1.236 47 I HN -0.330 nan 8.210 nan 0.000 0.429 48 S N 2.527 118.241 115.700 0.024 0.000 2.614 48 S HA 0.384 4.853 4.470 -0.000 0.000 0.288 48 S C -0.664 173.962 174.600 0.043 0.000 1.137 48 S CA -0.838 57.389 58.200 0.044 0.000 0.992 48 S CB 1.559 64.758 63.200 -0.001 0.000 1.026 48 S HN 0.511 nan 8.310 nan 0.000 0.486 49 K N 2.593 122.988 120.400 -0.008 0.000 2.524 49 K HA 0.170 4.490 4.320 -0.000 0.000 0.279 49 K C 0.067 176.521 176.600 -0.243 0.000 0.993 49 K CA 0.589 56.697 56.287 -0.297 0.000 1.030 49 K CB -0.064 32.260 32.500 -0.293 0.000 0.891 49 K HN 0.618 nan 8.250 nan 0.000 0.488 50 I N -1.982 118.399 120.570 -0.315 0.000 3.174 50 I HA 0.651 4.820 4.170 -0.000 0.000 0.313 50 I C 0.057 176.036 176.117 -0.230 0.000 1.155 50 I CA -1.124 60.043 61.300 -0.222 0.000 0.977 50 I CB 2.178 40.069 38.000 -0.181 0.000 1.248 50 I HN 0.519 nan 8.210 nan 0.000 0.453 51 G N 0.805 109.498 108.800 -0.178 0.000 2.795 51 G HA2 0.605 4.565 3.960 -0.000 0.000 0.267 51 G HA3 0.605 4.565 3.960 -0.000 0.000 0.267 51 G C -2.318 172.489 174.900 -0.156 0.000 1.362 51 G CA -1.479 43.522 45.100 -0.166 0.000 1.048 51 G HN 0.478 nan 8.290 nan 0.000 0.547 52 P HA -0.095 nan 4.420 nan 0.000 0.218 52 P C 1.761 178.980 177.300 -0.134 0.000 1.148 52 P CA 1.403 64.426 63.100 -0.127 0.000 0.822 52 P CB 0.162 31.798 31.700 -0.107 0.000 0.784 53 E N -0.368 119.755 120.200 -0.128 0.000 2.267 53 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 53 E C 0.547 177.045 176.600 -0.170 0.000 0.998 53 E CA 1.005 57.327 56.400 -0.131 0.000 0.830 53 E CB -1.243 28.393 29.700 -0.107 0.000 0.751 53 E HN 0.211 nan 8.360 nan 0.000 0.491 54 N N 2.504 121.094 118.700 -0.184 0.000 2.415 54 N HA 0.066 4.806 4.740 -0.000 0.000 0.246 54 N C -1.802 173.526 175.510 -0.304 0.000 1.078 54 N CA -1.837 51.072 53.050 -0.236 0.000 0.942 54 N CB 1.269 39.655 38.487 -0.168 0.000 1.140 54 N HN -0.049 nan 8.380 nan 0.000 0.501 55 P HA 0.037 nan 4.420 nan 0.000 0.249 55 P C -0.712 176.326 177.300 -0.438 0.000 1.241 55 P CA 0.264 63.086 63.100 -0.463 0.000 0.781 55 P CB -0.056 31.366 31.700 -0.462 0.000 1.088 56 Y N 0.603 120.891 120.300 -0.020 0.000 2.387 56 Y HA 0.584 5.134 4.550 -0.000 0.000 0.330 56 Y C 0.823 176.726 175.900 0.004 0.000 1.133 56 Y CA -1.075 57.038 58.100 0.022 0.000 1.152 56 Y CB 0.757 39.260 38.460 0.070 0.000 1.215 56 Y HN -0.139 nan 8.280 nan 0.000 0.466 57 N N -0.811 117.997 118.700 0.180 0.000 2.598 57 N HA 0.645 5.384 4.740 -0.000 0.000 0.263 57 N C -1.863 173.686 175.510 0.065 0.000 1.254 57 N CA -0.495 52.608 53.050 0.087 0.000 0.863 57 N CB 1.921 40.420 38.487 0.020 0.000 1.586 57 N HN 0.582 nan 8.380 nan 0.000 0.491 58 T N 1.629 116.191 114.554 0.013 0.000 2.933 58 T HA 0.561 4.911 4.350 -0.000 0.000 0.305 58 T C -2.873 171.719 174.700 -0.179 0.000 1.092 58 T CA -0.858 61.187 62.100 -0.092 0.000 1.008 58 T CB 2.173 70.918 68.868 -0.206 0.000 1.102 58 T HN 0.270 nan 8.240 nan 0.000 0.469 59 P HA 0.539 nan 4.420 nan 0.000 0.276 59 P C -1.067 175.952 177.300 -0.468 0.000 1.244 59 P CA -0.555 62.196 63.100 -0.582 0.000 0.801 59 P CB 0.781 31.852 31.700 -1.048 0.000 1.006 60 V N -0.524 119.129 119.914 -0.435 0.000 3.204 60 V HA 0.901 5.020 4.120 -0.000 0.000 0.298 60 V C -1.378 174.744 176.094 0.046 0.000 1.328 60 V CA -0.826 61.347 62.300 -0.212 0.000 1.035 60 V CB 1.636 33.303 31.823 -0.260 0.000 1.095 60 V HN 0.653 nan 8.190 nan 0.000 0.442 61 F N 0.294 120.136 119.950 -0.180 0.000 3.250 61 F HA 1.042 5.569 4.527 -0.001 0.000 0.326 61 F C -0.566 175.236 175.800 0.002 0.000 1.154 61 F CA -0.737 57.222 58.000 -0.069 0.000 0.870 61 F CB 0.445 39.450 39.000 0.009 0.000 1.476 61 F HN 1.276 nan 8.300 nan 0.000 0.491 62 A N 0.493 123.465 122.820 0.253 0.000 2.486 62 A HA 0.980 5.300 4.320 -0.000 0.000 0.289 62 A C -1.217 176.652 177.584 0.476 0.000 1.176 62 A CA -0.505 51.676 52.037 0.240 0.000 0.757 62 A CB 1.863 21.091 19.000 0.379 0.000 1.337 62 A HN 1.538 nan 8.150 nan 0.000 0.423 63 I N -2.554 118.209 120.570 0.322 0.000 2.842 63 I HA 0.532 4.701 4.170 -0.000 0.000 0.297 63 I C -0.876 175.030 176.117 -0.350 0.000 1.380 63 I CA -0.807 60.532 61.300 0.065 0.000 1.018 63 I CB 1.897 39.972 38.000 0.126 0.000 1.311 63 I HN 0.610 nan 8.210 nan 0.000 0.439 64 K N 2.884 122.839 120.400 -0.742 0.000 2.102 64 K HA 0.495 4.814 4.320 -0.000 0.000 0.244 64 K C -0.770 175.634 176.600 -0.328 0.000 1.021 64 K CA -0.678 55.151 56.287 -0.764 0.000 0.913 64 K CB 1.051 33.021 32.500 -0.883 0.000 1.062 64 K HN 0.694 nan 8.250 nan 0.000 0.485 65 K N 1.613 121.866 120.400 -0.244 0.000 2.565 65 K HA 0.064 4.384 4.320 -0.000 0.000 0.251 65 K C -1.610 174.952 176.600 -0.064 0.000 0.956 65 K CA -0.576 55.641 56.287 -0.117 0.000 0.809 65 K CB 1.034 33.486 32.500 -0.081 0.000 1.267 65 K HN 0.576 nan 8.250 nan 0.000 0.438 66 K N 2.798 123.181 120.400 -0.028 0.000 3.278 66 K HA -0.244 4.076 4.320 -0.000 0.000 0.270 66 K C -0.577 176.027 176.600 0.006 0.000 0.955 66 K CA 1.624 57.919 56.287 0.014 0.000 0.723 66 K CB -2.015 30.545 32.500 0.101 0.000 1.382 66 K HN 0.876 nan 8.250 nan 0.000 0.461 67 D N -0.455 119.932 120.400 -0.022 0.000 2.713 67 D HA -0.254 4.386 4.640 -0.000 0.000 0.231 67 D C 0.545 176.839 176.300 -0.011 0.000 1.173 67 D CA 1.567 55.557 54.000 -0.017 0.000 0.628 67 D CB -0.853 39.948 40.800 0.002 0.000 1.033 67 D HN 0.812 nan 8.370 nan 0.000 0.419 68 S N -1.821 113.860 115.700 -0.031 0.000 2.512 68 S HA 0.075 4.545 4.470 -0.000 0.000 0.216 68 S C 1.014 175.590 174.600 -0.040 0.000 1.006 68 S CA 0.733 58.919 58.200 -0.023 0.000 0.915 68 S CB -0.103 63.083 63.200 -0.023 0.000 0.824 68 S HN 0.826 nan 8.310 nan 0.000 0.497 69 T N 0.581 115.086 114.554 -0.082 0.000 3.852 69 T HA -0.150 4.199 4.350 -0.000 0.000 0.361 69 T C -0.406 174.247 174.700 -0.078 0.000 0.759 69 T CA 0.743 62.786 62.100 -0.095 0.000 1.899 69 T CB -2.138 66.725 68.868 -0.008 0.000 1.822 69 T HN 0.387 nan 8.240 nan 0.000 0.778 70 K N 0.505 120.820 120.400 -0.141 0.000 2.507 70 K HA 0.362 4.682 4.320 -0.000 0.000 0.253 70 K C -0.097 176.429 176.600 -0.124 0.000 0.969 70 K CA -0.693 55.562 56.287 -0.052 0.000 0.908 70 K CB 0.871 33.362 32.500 -0.015 0.000 1.127 70 K HN 0.459 nan 8.250 nan 0.000 0.437 71 W N 2.077 123.381 121.300 0.008 0.000 2.158 71 W HA 0.202 4.862 4.660 -0.000 0.000 0.339 71 W C 1.015 177.531 176.519 -0.005 0.000 1.294 71 W CA 0.087 57.433 57.345 0.003 0.000 1.231 71 W CB 0.535 29.994 29.460 -0.001 0.000 1.143 71 W HN 0.312 nan 8.180 nan 0.000 0.571 72 R N 3.271 123.884 120.500 0.188 0.000 2.515 72 R HA 0.216 4.555 4.340 -0.000 0.000 0.291 72 R C -0.225 176.112 176.300 0.062 0.000 1.046 72 R CA -0.887 55.271 56.100 0.097 0.000 0.914 72 R CB 1.122 31.436 30.300 0.024 0.000 1.191 72 R HN 0.522 nan 8.270 nan 0.000 0.435 73 K N 2.939 123.359 120.400 0.035 0.000 2.344 73 K HA 0.126 4.446 4.320 -0.000 0.000 0.260 73 K C -1.173 175.335 176.600 -0.154 0.000 0.988 73 K CA 0.024 56.276 56.287 -0.059 0.000 0.909 73 K CB 0.456 32.924 32.500 -0.053 0.000 0.968 73 K HN 0.415 nan 8.250 nan 0.000 0.505 74 L N 1.801 122.831 121.223 -0.322 0.000 2.643 74 L HA 0.333 4.673 4.340 -0.000 0.000 0.257 74 L C -1.969 174.614 176.870 -0.477 0.000 0.922 74 L CA -0.526 54.071 54.840 -0.404 0.000 0.909 74 L CB 2.045 43.712 42.059 -0.654 0.000 1.424 74 L HN 0.353 nan 8.230 nan 0.000 0.422 75 V N 2.460 122.189 119.914 -0.309 0.000 2.588 75 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 75 V C -0.729 175.184 176.094 -0.301 0.000 1.042 75 V CA -0.619 61.418 62.300 -0.438 0.000 0.877 75 V CB 1.834 33.172 31.823 -0.808 0.000 0.996 75 V HN 0.801 nan 8.190 nan 0.000 0.425 76 D N 2.752 123.039 120.400 -0.189 0.000 2.545 76 D HA 0.223 4.863 4.640 -0.000 0.000 0.227 76 D C 0.546 176.793 176.300 -0.090 0.000 1.150 76 D CA 0.041 54.048 54.000 0.012 0.000 1.046 76 D CB -0.039 40.895 40.800 0.224 0.000 1.098 76 D HN 0.408 nan 8.370 nan 0.000 0.502 77 F N 1.405 121.403 119.950 0.080 0.000 2.802 77 F HA 0.120 4.647 4.527 -0.001 0.000 0.300 77 F C 2.089 177.939 175.800 0.083 0.000 1.168 77 F CA 0.111 58.163 58.000 0.087 0.000 1.433 77 F CB -0.110 38.970 39.000 0.133 0.000 1.115 77 F HN 0.264 nan 8.300 nan 0.000 0.582 78 R N 0.220 120.833 120.500 0.188 0.000 2.162 78 R HA -0.292 4.048 4.340 -0.000 0.000 0.245 78 R C 1.992 178.364 176.300 0.119 0.000 1.129 78 R CA 2.124 58.287 56.100 0.105 0.000 0.940 78 R CB -0.718 29.583 30.300 0.003 0.000 0.875 78 R HN 0.124 nan 8.270 nan 0.000 0.437 79 E N 0.670 120.937 120.200 0.111 0.000 2.331 79 E HA -0.158 4.192 4.350 -0.000 0.000 0.199 79 E C 1.575 178.261 176.600 0.144 0.000 1.008 79 E CA 0.754 57.221 56.400 0.112 0.000 0.843 79 E CB -0.030 29.730 29.700 0.099 0.000 0.761 79 E HN 0.206 nan 8.360 nan 0.000 0.507 80 L N 0.089 121.437 121.223 0.209 0.000 2.121 80 L HA 0.036 4.376 4.340 -0.000 0.000 0.200 80 L C 1.511 178.541 176.870 0.267 0.000 1.077 80 L CA 1.276 56.255 54.840 0.232 0.000 0.766 80 L CB -0.609 41.654 42.059 0.340 0.000 0.931 80 L HN 0.017 nan 8.230 nan 0.000 0.452 81 N N 0.534 119.393 118.700 0.264 0.000 2.182 81 N HA -0.260 4.480 4.740 -0.000 0.000 0.192 81 N C 1.608 177.286 175.510 0.279 0.000 1.007 81 N CA 1.654 54.770 53.050 0.110 0.000 0.873 81 N CB -0.313 38.096 38.487 -0.130 0.000 0.998 81 N HN 0.500 nan 8.380 nan 0.000 0.436 82 K N 0.447 120.995 120.400 0.246 0.000 2.228 82 K HA 0.057 4.377 4.320 -0.000 0.000 0.202 82 K C 1.890 178.632 176.600 0.237 0.000 1.051 82 K CA 0.639 57.083 56.287 0.262 0.000 0.960 82 K CB 0.150 32.748 32.500 0.163 0.000 0.743 82 K HN 0.202 nan 8.250 nan 0.000 0.458 83 R N -0.138 120.485 120.500 0.205 0.000 2.225 83 R HA 0.035 4.374 4.340 -0.000 0.000 0.194 83 R C 0.869 177.269 176.300 0.167 0.000 0.957 83 R CA 0.202 56.383 56.100 0.136 0.000 1.042 83 R CB 0.253 30.584 30.300 0.051 0.000 1.004 83 R HN -0.076 nan 8.270 nan 0.000 0.509 84 T N 1.613 116.342 114.554 0.292 0.000 2.817 84 T HA -0.038 4.311 4.350 -0.000 0.000 0.295 84 T C 0.170 175.100 174.700 0.384 0.000 0.958 84 T CA -0.044 62.275 62.100 0.365 0.000 1.157 84 T CB 0.565 69.779 68.868 0.578 0.000 0.898 84 T HN 0.151 nan 8.240 nan 0.000 0.536 85 Q N 3.295 123.225 119.800 0.216 0.000 2.726 85 Q HA -0.049 4.290 4.340 -0.000 0.000 0.242 85 Q C 0.964 176.965 176.000 0.003 0.000 1.130 85 Q CA 0.270 56.142 55.803 0.116 0.000 1.031 85 Q CB 0.386 29.172 28.738 0.080 0.000 1.326 85 Q HN 0.680 nan 8.270 nan 0.000 0.572 86 D N 1.559 121.848 120.400 -0.184 0.000 2.421 86 D HA -0.194 4.445 4.640 -0.000 0.000 0.223 86 D C 1.163 177.268 176.300 -0.324 0.000 0.979 86 D CA 0.534 54.276 54.000 -0.430 0.000 0.959 86 D CB -0.415 40.218 40.800 -0.280 0.000 0.874 86 D HN 0.538 nan 8.370 nan 0.000 0.513 87 F N 1.820 121.641 119.950 -0.215 0.000 2.127 87 F HA -0.295 4.231 4.527 -0.001 0.000 0.299 87 F C 1.949 177.702 175.800 -0.078 0.000 1.068 87 F CA 1.800 59.740 58.000 -0.099 0.000 1.263 87 F CB -0.318 38.673 39.000 -0.015 0.000 1.016 87 F HN 0.174 nan 8.300 nan 0.000 0.491 88 W N -0.504 120.742 121.300 -0.089 0.000 3.211 88 W HA 0.278 4.938 4.660 -0.001 0.000 0.292 88 W C 1.452 177.893 176.519 -0.131 0.000 1.268 88 W CA 0.595 57.827 57.345 -0.188 0.000 1.702 88 W CB -0.855 28.531 29.460 -0.123 0.000 1.092 88 W HN 0.201 nan 8.180 nan 0.000 0.643 89 E N 1.595 121.454 120.200 -0.569 0.000 2.184 89 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 89 E C 2.054 178.485 176.600 -0.281 0.000 0.978 89 E CA 1.230 57.335 56.400 -0.492 0.000 0.998 89 E CB -0.505 28.721 29.700 -0.790 0.000 1.240 89 E HN -0.171 nan 8.360 nan 0.000 0.492 90 V N 1.655 121.403 119.914 -0.276 0.000 2.759 90 V HA -0.122 3.998 4.120 -0.000 0.000 0.256 90 V C 2.269 178.268 176.094 -0.158 0.000 1.080 90 V CA 2.102 64.294 62.300 -0.181 0.000 1.101 90 V CB -0.320 31.411 31.823 -0.154 0.000 0.698 90 V HN 0.387 nan 8.190 nan 0.000 0.477 91 Q N -0.598 119.081 119.800 -0.200 0.000 2.402 91 Q HA 0.192 4.531 4.340 -0.000 0.000 0.231 91 Q C 0.638 176.500 176.000 -0.230 0.000 0.888 91 Q CA 0.417 56.099 55.803 -0.202 0.000 0.938 91 Q CB 0.730 29.331 28.738 -0.229 0.000 1.086 91 Q HN 0.578 nan 8.270 nan 0.000 0.543 92 L N 1.360 122.430 121.223 -0.255 0.000 2.669 92 L HA 0.470 4.810 4.340 -0.000 0.000 0.273 92 L C 0.398 177.202 176.870 -0.111 0.000 1.441 92 L CA -0.733 53.976 54.840 -0.219 0.000 0.745 92 L CB 1.104 42.947 42.059 -0.360 0.000 1.044 92 L HN 0.062 nan 8.230 nan 0.000 0.523 93 G N 0.403 109.164 108.800 -0.066 0.000 2.583 93 G HA2 0.481 4.441 3.960 -0.000 0.000 0.275 93 G HA3 0.481 4.441 3.960 -0.000 0.000 0.275 93 G C -0.592 174.342 174.900 0.056 0.000 1.342 93 G CA -0.103 45.003 45.100 0.011 0.000 1.030 93 G HN 0.126 nan 8.290 nan 0.000 0.520 94 I N 1.243 121.889 120.570 0.127 0.000 2.500 94 I HA 0.295 4.465 4.170 -0.000 0.000 0.286 94 I C -1.964 174.266 176.117 0.188 0.000 1.063 94 I CA -1.743 59.663 61.300 0.176 0.000 1.062 94 I CB 2.124 40.295 38.000 0.285 0.000 1.223 94 I HN 0.302 nan 8.210 nan 0.000 0.435 95 P HA 0.143 nan 4.420 nan 0.000 0.271 95 P C -0.549 176.716 177.300 -0.059 0.000 1.233 95 P CA -0.155 62.942 63.100 -0.005 0.000 0.764 95 P CB 0.214 31.854 31.700 -0.100 0.000 0.825 96 H N 4.106 123.191 119.070 0.025 0.000 3.248 96 H HA 0.030 4.586 4.556 -0.001 0.000 0.258 96 H C -1.875 173.394 175.328 -0.099 0.000 0.923 96 H CA -1.674 54.353 56.048 -0.035 0.000 1.416 96 H CB -0.682 29.115 29.762 0.058 0.000 1.523 96 H HN 0.363 nan 8.280 nan 0.000 0.528 97 P HA 0.182 nan 4.420 nan 0.000 0.214 97 P C 0.961 178.173 177.300 -0.148 0.000 1.807 97 P CA -0.162 62.827 63.100 -0.184 0.000 0.921 97 P CB -0.307 31.263 31.700 -0.217 0.000 1.835 98 A N 1.131 123.895 122.820 -0.092 0.000 2.225 98 A HA -0.176 4.144 4.320 -0.000 0.000 0.222 98 A C 2.238 179.771 177.584 -0.085 0.000 1.170 98 A CA 1.842 53.827 52.037 -0.088 0.000 0.672 98 A CB -1.450 17.535 19.000 -0.025 0.000 0.802 98 A HN 0.412 nan 8.150 nan 0.000 0.481 99 G N -0.709 108.050 108.800 -0.070 0.000 2.498 99 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.219 99 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.219 99 G C 1.404 176.277 174.900 -0.046 0.000 1.119 99 G CA 0.846 45.918 45.100 -0.047 0.000 0.766 99 G HN 0.495 nan 8.290 nan 0.000 0.552 100 L N -0.174 121.011 121.223 -0.063 0.000 2.005 100 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 100 L C 2.953 179.783 176.870 -0.066 0.000 1.072 100 L CA 1.393 56.204 54.840 -0.049 0.000 0.744 100 L CB -0.322 41.703 42.059 -0.056 0.000 0.895 100 L HN 0.197 nan 8.230 nan 0.000 0.433 101 K N 0.423 120.757 120.400 -0.110 0.000 2.117 101 K HA -0.300 4.019 4.320 -0.000 0.000 0.215 101 K C 1.935 178.496 176.600 -0.066 0.000 1.053 101 K CA 2.129 58.343 56.287 -0.122 0.000 0.935 101 K CB -0.329 32.070 32.500 -0.169 0.000 0.719 101 K HN 0.350 nan 8.250 nan 0.000 0.460 102 K N 0.951 121.320 120.400 -0.052 0.000 2.296 102 K HA 0.011 4.331 4.320 -0.000 0.000 0.200 102 K C 0.120 176.712 176.600 -0.012 0.000 1.048 102 K CA 0.319 56.589 56.287 -0.028 0.000 0.966 102 K CB 0.073 32.556 32.500 -0.029 0.000 0.754 102 K HN -0.001 nan 8.250 nan 0.000 0.466 103 K N 2.249 122.642 120.400 -0.011 0.000 2.513 103 K HA -0.105 4.215 4.320 -0.000 0.000 0.275 103 K C 0.817 177.424 176.600 0.012 0.000 1.025 103 K CA 0.510 56.794 56.287 -0.005 0.000 1.125 103 K CB 0.300 32.802 32.500 0.003 0.000 0.843 103 K HN 0.013 nan 8.250 nan 0.000 0.486 104 K N 1.212 121.599 120.400 -0.022 0.000 2.002 104 K HA -0.058 4.261 4.320 -0.000 0.000 0.209 104 K C 0.394 177.023 176.600 0.048 0.000 1.048 104 K CA 1.213 57.481 56.287 -0.032 0.000 0.930 104 K CB 0.101 32.552 32.500 -0.083 0.000 0.714 104 K HN 0.410 nan 8.250 nan 0.000 0.438 105 S N 0.822 116.503 115.700 -0.033 0.000 2.789 105 S HA 0.332 4.801 4.470 -0.000 0.000 0.286 105 S C -0.439 174.133 174.600 -0.047 0.000 1.153 105 S CA -0.751 57.486 58.200 0.062 0.000 1.084 105 S CB 1.972 65.093 63.200 -0.131 0.000 1.036 105 S HN -0.136 nan 8.310 nan 0.000 0.484 106 V N 2.634 122.599 119.914 0.086 0.000 2.837 106 V HA 0.697 4.817 4.120 -0.000 0.000 0.310 106 V C 0.220 176.419 176.094 0.174 0.000 1.059 106 V CA -0.420 61.943 62.300 0.104 0.000 1.004 106 V CB 1.932 33.763 31.823 0.013 0.000 1.045 106 V HN 0.834 nan 8.190 nan 0.000 0.465 107 T N 1.588 116.263 114.554 0.202 0.000 2.991 107 T HA 0.448 4.798 4.350 -0.000 0.000 0.303 107 T C -0.731 174.091 174.700 0.203 0.000 1.015 107 T CA -0.379 61.829 62.100 0.180 0.000 1.007 107 T CB 1.611 70.569 68.868 0.149 0.000 1.034 107 T HN 0.347 nan 8.240 nan 0.000 0.446 108 V N 4.129 124.170 119.914 0.210 0.000 2.509 108 V HA 0.626 4.745 4.120 -0.000 0.000 0.284 108 V C -0.520 175.692 176.094 0.195 0.000 1.047 108 V CA -0.658 61.839 62.300 0.329 0.000 0.952 108 V CB 1.335 33.383 31.823 0.375 0.000 0.988 108 V HN 0.656 nan 8.190 nan 0.000 0.469 109 L N 4.038 125.355 121.223 0.157 0.000 2.470 109 L HA 0.521 4.860 4.340 -0.000 0.000 0.268 109 L C -0.628 176.251 176.870 0.014 0.000 0.964 109 L CA -0.154 54.718 54.840 0.052 0.000 0.839 109 L CB 1.919 43.983 42.059 0.008 0.000 1.276 109 L HN 0.689 nan 8.230 nan 0.000 0.403 110 D N 3.144 123.540 120.400 -0.008 0.000 2.317 110 D HA 0.257 4.897 4.640 -0.000 0.000 0.252 110 D C 0.641 176.871 176.300 -0.116 0.000 1.174 110 D CA 0.131 54.096 54.000 -0.059 0.000 0.866 110 D CB 1.694 42.465 40.800 -0.049 0.000 1.127 110 D HN 0.459 nan 8.370 nan 0.000 0.467 111 V N 1.636 121.439 119.914 -0.185 0.000 3.572 111 V HA 0.290 4.410 4.120 -0.000 0.000 0.260 111 V C 1.992 177.827 176.094 -0.432 0.000 1.324 111 V CA 0.829 62.997 62.300 -0.219 0.000 1.068 111 V CB -0.045 31.702 31.823 -0.127 0.000 0.837 111 V HN 0.522 nan 8.190 nan 0.000 0.450 112 G N 0.965 109.356 108.800 -0.683 0.000 2.657 112 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.224 112 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.224 112 G C 0.991 175.292 174.900 -0.999 0.000 1.086 112 G CA 1.547 45.870 45.100 -1.295 0.000 0.730 112 G HN 0.644 nan 8.290 nan 0.000 0.602 113 D N -0.207 119.846 120.400 -0.579 0.000 2.411 113 D HA 0.179 4.818 4.640 -0.000 0.000 0.226 113 D C 2.246 178.353 176.300 -0.321 0.000 0.988 113 D CA 0.980 54.745 54.000 -0.390 0.000 0.938 113 D CB -0.124 40.591 40.800 -0.142 0.000 0.883 113 D HN 0.342 nan 8.370 nan 0.000 0.525 114 A N -0.930 121.613 122.820 -0.461 0.000 2.035 114 A HA 0.013 4.332 4.320 -0.000 0.000 0.208 114 A C 1.290 178.670 177.584 -0.341 0.000 1.206 114 A CA -0.079 51.767 52.037 -0.317 0.000 0.773 114 A CB -0.448 18.371 19.000 -0.301 0.000 0.878 114 A HN 0.238 nan 8.150 nan 0.000 0.469 115 Y N -0.177 119.734 120.300 -0.650 0.000 2.348 115 Y HA -0.197 4.353 4.550 -0.000 0.000 0.285 115 Y C 1.437 177.186 175.900 -0.252 0.000 1.173 115 Y CA 0.156 57.914 58.100 -0.569 0.000 1.263 115 Y CB -1.261 36.894 38.460 -0.510 0.000 0.974 115 Y HN 0.365 nan 8.280 nan 0.000 0.547 116 F N -0.768 119.178 119.950 -0.007 0.000 2.788 116 F HA -0.045 4.482 4.527 -0.000 0.000 0.300 116 F C 1.537 177.343 175.800 0.012 0.000 1.229 116 F CA 0.305 58.311 58.000 0.010 0.000 1.446 116 F CB -0.735 38.269 39.000 0.008 0.000 1.118 116 F HN -0.146 nan 8.300 nan 0.000 0.579 117 S N -0.946 114.842 115.700 0.147 0.000 2.749 117 S HA 0.258 4.728 4.470 -0.000 0.000 0.246 117 S C 0.253 174.913 174.600 0.100 0.000 1.023 117 S CA -0.068 58.197 58.200 0.108 0.000 1.012 117 S CB 0.569 63.816 63.200 0.078 0.000 0.942 117 S HN -0.086 nan 8.310 nan 0.000 0.531 118 V N 3.285 123.260 119.914 0.102 0.000 2.313 118 V HA 0.308 4.427 4.120 -0.000 0.000 0.262 118 V C -2.759 173.401 176.094 0.110 0.000 1.011 118 V CA -2.148 60.216 62.300 0.106 0.000 0.858 118 V CB 0.387 32.270 31.823 0.101 0.000 1.104 118 V HN 0.058 nan 8.190 nan 0.000 0.456 119 P HA -0.141 nan 4.420 nan 0.000 0.258 119 P C -0.381 176.982 177.300 0.105 0.000 1.136 119 P CA 0.548 63.709 63.100 0.101 0.000 0.761 119 P CB 0.236 31.987 31.700 0.084 0.000 0.724 120 L N 3.857 125.148 121.223 0.113 0.000 2.334 120 L HA 0.376 4.716 4.340 -0.000 0.000 0.277 120 L C 0.119 177.060 176.870 0.118 0.000 1.075 120 L CA -0.768 54.144 54.840 0.119 0.000 0.804 120 L CB 0.618 42.746 42.059 0.116 0.000 1.174 120 L HN 0.203 nan 8.230 nan 0.000 0.438 121 D N 2.963 123.434 120.400 0.119 0.000 2.662 121 D HA -0.133 4.507 4.640 -0.000 0.000 0.237 121 D C 1.011 177.396 176.300 0.141 0.000 1.154 121 D CA 0.811 54.880 54.000 0.116 0.000 0.861 121 D CB 0.644 41.501 40.800 0.094 0.000 1.146 121 D HN 0.745 nan 8.370 nan 0.000 0.518 122 E N 3.137 123.397 120.200 0.100 0.000 2.085 122 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 122 E C 0.944 177.590 176.600 0.076 0.000 0.994 122 E CA 1.018 57.464 56.400 0.076 0.000 0.801 122 E CB 0.010 29.741 29.700 0.051 0.000 0.743 122 E HN 0.662 nan 8.360 nan 0.000 0.453 123 D N -0.973 119.484 120.400 0.096 0.000 2.384 123 D HA -0.138 4.502 4.640 -0.000 0.000 0.222 123 D C 1.238 177.632 176.300 0.156 0.000 0.976 123 D CA 0.449 54.506 54.000 0.095 0.000 0.915 123 D CB -0.011 40.851 40.800 0.104 0.000 0.896 123 D HN 0.194 nan 8.370 nan 0.000 0.523 124 F N 0.554 120.512 119.950 0.013 0.000 2.637 124 F HA 0.209 4.736 4.527 -0.001 0.000 0.284 124 F C 2.117 177.924 175.800 0.012 0.000 1.105 124 F CA -0.075 57.971 58.000 0.078 0.000 1.356 124 F CB 0.065 39.094 39.000 0.050 0.000 1.096 124 F HN -0.291 nan 8.300 nan 0.000 0.616 125 R N 1.375 121.867 120.500 -0.013 0.000 2.165 125 R HA -0.276 4.064 4.340 -0.000 0.000 0.254 125 R C 2.015 178.216 176.300 -0.165 0.000 1.153 125 R CA 2.312 58.370 56.100 -0.071 0.000 0.971 125 R CB -0.797 29.515 30.300 0.019 0.000 0.878 125 R HN 0.391 nan 8.270 nan 0.000 0.449 126 K N -0.446 119.819 120.400 -0.225 0.000 2.589 126 K HA -0.194 4.125 4.320 -0.000 0.000 0.195 126 K C 0.718 177.151 176.600 -0.279 0.000 1.042 126 K CA 1.548 57.688 56.287 -0.246 0.000 0.940 126 K CB -0.097 32.227 32.500 -0.293 0.000 0.776 126 K HN 0.276 nan 8.250 nan 0.000 0.487 127 Y N 1.392 121.512 120.300 -0.299 0.000 2.524 127 Y HA 0.025 4.575 4.550 -0.000 0.000 0.270 127 Y C 1.950 177.726 175.900 -0.207 0.000 1.094 127 Y CA 0.794 58.648 58.100 -0.409 0.000 1.276 127 Y CB 0.240 38.151 38.460 -0.914 0.000 1.130 127 Y HN 0.251 nan 8.280 nan 0.000 0.536 128 T N -1.265 113.271 114.554 -0.029 0.000 3.439 128 T HA 0.367 4.717 4.350 -0.000 0.000 0.251 128 T C 0.726 175.635 174.700 0.348 0.000 1.108 128 T CA 0.058 62.299 62.100 0.235 0.000 0.982 128 T CB -0.916 68.138 68.868 0.309 0.000 1.024 128 T HN 0.196 nan 8.240 nan 0.000 0.573 129 A N 1.887 124.832 122.820 0.208 0.000 2.488 129 A HA 0.572 4.892 4.320 -0.000 0.000 0.249 129 A C -0.103 177.601 177.584 0.200 0.000 1.083 129 A CA -0.693 51.426 52.037 0.136 0.000 0.768 129 A CB -0.474 18.560 19.000 0.056 0.000 1.017 129 A HN 0.765 nan 8.150 nan 0.000 0.496 130 F N -0.290 119.643 119.950 -0.029 0.000 2.613 130 F HA 0.785 5.311 4.527 -0.000 0.000 0.310 130 F C -0.460 175.306 175.800 -0.056 0.000 1.085 130 F CA -0.811 57.144 58.000 -0.075 0.000 0.945 130 F CB 1.431 40.364 39.000 -0.111 0.000 1.298 130 F HN 0.274 nan 8.300 nan 0.000 0.455 131 T N 3.924 118.485 114.554 0.012 0.000 2.812 131 T HA 0.612 4.961 4.350 -0.000 0.000 0.282 131 T C -0.335 174.359 174.700 -0.009 0.000 0.990 131 T CA -0.467 61.580 62.100 -0.088 0.000 0.960 131 T CB 1.197 69.999 68.868 -0.111 0.000 0.948 131 T HN 0.578 nan 8.240 nan 0.000 0.438 132 I N 6.000 126.567 120.570 -0.005 0.000 2.396 132 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 132 I C -1.928 174.169 176.117 -0.034 0.000 0.999 132 I CA -2.133 59.179 61.300 0.020 0.000 1.310 132 I CB 1.266 39.305 38.000 0.065 0.000 1.404 132 I HN 0.375 nan 8.210 nan 0.000 0.496 133 P HA 0.418 nan 4.420 nan 0.000 0.317 133 P C -1.056 176.216 177.300 -0.047 0.000 1.301 133 P CA -0.661 62.410 63.100 -0.048 0.000 0.799 133 P CB 1.543 33.216 31.700 -0.045 0.000 1.344 134 S N -0.561 115.111 115.700 -0.048 0.000 2.536 134 S HA 0.537 5.007 4.470 -0.000 0.000 0.298 134 S C 0.248 174.820 174.600 -0.046 0.000 1.083 134 S CA -0.751 57.420 58.200 -0.048 0.000 0.995 134 S CB 0.389 63.560 63.200 -0.048 0.000 1.058 134 S HN 0.382 nan 8.310 nan 0.000 0.488 135 I N 1.316 121.858 120.570 -0.048 0.000 2.598 135 I HA 0.346 4.516 4.170 -0.000 0.000 0.284 135 I C 0.743 176.836 176.117 -0.041 0.000 1.140 135 I CA -0.066 61.206 61.300 -0.046 0.000 1.420 135 I CB -0.390 37.581 38.000 -0.048 0.000 1.387 135 I HN 0.864 nan 8.210 nan 0.000 0.553 136 N N 4.562 123.239 118.700 -0.038 0.000 2.863 136 N HA -0.332 4.407 4.740 -0.000 0.000 0.245 136 N C 0.003 175.493 175.510 -0.033 0.000 1.001 136 N CA 1.407 54.437 53.050 -0.034 0.000 0.901 136 N CB -1.491 36.977 38.487 -0.031 0.000 1.124 136 N HN 1.037 nan 8.380 nan 0.000 0.582 137 N N -0.688 117.990 118.700 -0.036 0.000 2.746 137 N HA -0.254 4.486 4.740 -0.000 0.000 0.250 137 N C 0.393 175.881 175.510 -0.037 0.000 1.055 137 N CA 0.847 53.875 53.050 -0.037 0.000 0.699 137 N CB -0.648 37.819 38.487 -0.033 0.000 0.919 137 N HN 0.729 nan 8.380 nan 0.000 0.548 138 E N 0.067 120.244 120.200 -0.038 0.000 2.216 138 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 138 E C 0.665 177.240 176.600 -0.041 0.000 0.988 138 E CA 1.216 57.593 56.400 -0.038 0.000 0.834 138 E CB 0.363 30.041 29.700 -0.037 0.000 0.772 138 E HN 0.370 nan 8.360 nan 0.000 0.479 139 T N 0.230 114.756 114.554 -0.047 0.000 2.883 139 T HA 0.418 4.767 4.350 -0.000 0.000 0.301 139 T C -2.759 171.905 174.700 -0.060 0.000 1.158 139 T CA -1.999 60.069 62.100 -0.053 0.000 1.007 139 T CB 1.817 70.651 68.868 -0.057 0.000 1.186 139 T HN -0.097 nan 8.240 nan 0.000 0.499 140 P HA 0.318 nan 4.420 nan 0.000 0.274 140 P C 0.273 177.520 177.300 -0.089 0.000 1.260 140 P CA -0.173 62.883 63.100 -0.075 0.000 0.793 140 P CB -0.028 31.624 31.700 -0.079 0.000 1.048 141 G N 0.749 109.492 108.800 -0.096 0.000 2.354 141 G HA2 0.338 4.298 3.960 -0.000 0.000 0.266 141 G HA3 0.338 4.298 3.960 -0.000 0.000 0.266 141 G C 0.173 174.976 174.900 -0.161 0.000 1.242 141 G CA -0.580 44.453 45.100 -0.113 0.000 0.923 141 G HN 0.380 nan 8.290 nan 0.000 0.476 142 I N 2.871 123.335 120.570 -0.176 0.000 2.396 142 I HA 0.190 4.359 4.170 -0.000 0.000 0.289 142 I C 0.979 176.847 176.117 -0.416 0.000 1.056 142 I CA -0.170 60.958 61.300 -0.287 0.000 1.365 142 I CB 0.610 38.466 38.000 -0.240 0.000 1.407 142 I HN 0.422 nan 8.210 nan 0.000 0.509 143 R N 5.295 125.463 120.500 -0.554 0.000 2.606 143 R HA 0.731 5.071 4.340 -0.000 0.000 0.249 143 R C -1.359 174.340 176.300 -1.001 0.000 1.127 143 R CA -0.775 54.963 56.100 -0.604 0.000 1.133 143 R CB 1.226 31.287 30.300 -0.398 0.000 1.243 143 R HN 0.382 nan 8.270 nan 0.000 0.558 144 Y N -1.303 118.603 120.300 -0.657 0.000 2.750 144 Y HA 0.272 4.821 4.550 -0.000 0.000 0.335 144 Y C -0.522 175.065 175.900 -0.520 0.000 1.252 144 Y CA -0.772 56.914 58.100 -0.690 0.000 1.064 144 Y CB 2.023 39.830 38.460 -1.088 0.000 1.321 144 Y HN 0.427 nan 8.280 nan 0.000 0.451 145 Q N -0.233 119.494 119.800 -0.122 0.000 2.511 145 Q HA 0.466 4.806 4.340 -0.000 0.000 0.289 145 Q C -2.031 173.940 176.000 -0.050 0.000 1.021 145 Q CA -1.066 54.714 55.803 -0.039 0.000 0.785 145 Q CB 3.389 32.111 28.738 -0.028 0.000 1.472 145 Q HN 0.692 nan 8.270 nan 0.000 0.411 146 Y N 0.546 120.911 120.300 0.109 0.000 2.387 146 Y HA 0.240 4.790 4.550 -0.001 0.000 0.336 146 Y C 0.452 176.381 175.900 0.048 0.000 1.067 146 Y CA -0.022 58.134 58.100 0.093 0.000 1.114 146 Y CB 1.373 39.889 38.460 0.093 0.000 1.208 146 Y HN 0.698 nan 8.280 nan 0.000 0.458 147 N N 0.269 119.134 118.700 0.275 0.000 2.460 147 N HA 0.060 4.800 4.740 -0.000 0.000 0.193 147 N C -0.141 175.473 175.510 0.174 0.000 1.080 147 N CA 0.158 53.307 53.050 0.165 0.000 0.869 147 N CB 0.576 39.127 38.487 0.107 0.000 1.201 147 N HN 0.347 nan 8.380 nan 0.000 0.457 148 V N -1.136 118.918 119.914 0.233 0.000 3.488 148 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 148 V C 0.175 176.357 176.094 0.147 0.000 1.163 148 V CA -1.216 61.204 62.300 0.200 0.000 0.971 148 V CB 0.426 32.408 31.823 0.266 0.000 1.245 148 V HN -0.054 nan 8.190 nan 0.000 0.456 149 L N 2.869 124.166 121.223 0.123 0.000 2.360 149 L HA 0.385 4.725 4.340 -0.000 0.000 0.276 149 L C -2.160 174.631 176.870 -0.132 0.000 1.121 149 L CA -1.470 53.382 54.840 0.021 0.000 0.845 149 L CB 1.151 43.222 42.059 0.020 0.000 1.143 149 L HN 0.554 nan 8.230 nan 0.000 0.452 150 P HA 0.063 nan 4.420 nan 0.000 0.276 150 P C -0.866 176.310 177.300 -0.207 0.000 1.253 150 P CA -0.379 62.286 63.100 -0.724 0.000 0.766 150 P CB 0.727 31.871 31.700 -0.928 0.000 0.845 151 Q N 1.672 121.415 119.800 -0.096 0.000 2.479 151 Q HA 0.181 4.521 4.340 -0.000 0.000 0.267 151 Q C 1.300 177.378 176.000 0.130 0.000 1.071 151 Q CA 0.791 56.581 55.803 -0.021 0.000 0.935 151 Q CB -0.112 28.577 28.738 -0.083 0.000 1.295 151 Q HN 0.815 nan 8.270 nan 0.000 0.476 152 G N 0.779 109.655 108.800 0.127 0.000 2.258 152 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.274 152 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.274 152 G C -0.754 174.281 174.900 0.225 0.000 1.021 152 G CA 0.574 45.796 45.100 0.203 0.000 0.798 152 G HN 0.617 nan 8.290 nan 0.000 0.507 153 W N -0.230 120.945 121.300 -0.208 0.000 2.639 153 W HA 0.760 5.419 4.660 -0.000 0.000 0.347 153 W C 0.771 177.087 176.519 -0.339 0.000 1.067 153 W CA -1.679 55.418 57.345 -0.413 0.000 1.218 153 W CB 0.959 30.004 29.460 -0.691 0.000 1.393 153 W HN -0.172 nan 8.180 nan 0.000 0.557 154 K N 2.058 121.812 120.400 -1.077 0.000 2.001 154 K HA -0.039 4.280 4.320 -0.000 0.000 0.208 154 K C 1.945 177.855 176.600 -1.149 0.000 1.048 154 K CA 1.864 57.450 56.287 -1.169 0.000 0.932 154 K CB -1.040 30.509 32.500 -1.585 0.000 0.715 154 K HN 0.824 nan 8.250 nan 0.000 0.437 155 G N 0.574 108.231 108.800 -1.905 0.000 2.422 155 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 155 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 155 G C 1.671 176.038 174.900 -0.888 0.000 1.146 155 G CA 1.191 45.543 45.100 -1.246 0.000 0.769 155 G HN 0.348 nan 8.290 nan 0.000 0.547 156 S N 1.288 116.423 115.700 -0.941 0.000 2.393 156 S HA -0.144 4.325 4.470 -0.000 0.000 0.234 156 S C 0.745 174.888 174.600 -0.762 0.000 1.064 156 S CA 2.147 60.130 58.200 -0.362 0.000 1.088 156 S CB -0.656 62.537 63.200 -0.011 0.000 0.939 156 S HN 0.436 nan 8.310 nan 0.000 0.448 157 P HA 0.185 nan 4.420 nan 0.000 0.226 157 P C 1.299 178.447 177.300 -0.255 0.000 1.161 157 P CA 1.206 64.042 63.100 -0.439 0.000 0.804 157 P CB -0.138 31.458 31.700 -0.174 0.000 0.829 158 A N 1.172 123.839 122.820 -0.254 0.000 1.835 158 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 158 A C 2.344 179.859 177.584 -0.115 0.000 1.199 158 A CA 1.496 53.433 52.037 -0.167 0.000 0.615 158 A CB -1.690 17.205 19.000 -0.175 0.000 0.838 158 A HN 0.059 nan 8.150 nan 0.000 0.444 159 I N -1.756 118.777 120.570 -0.062 0.000 2.300 159 I HA -0.283 3.886 4.170 -0.000 0.000 0.252 159 I C 2.315 178.448 176.117 0.027 0.000 1.119 159 I CA 1.769 63.080 61.300 0.018 0.000 1.384 159 I CB -0.271 37.784 38.000 0.091 0.000 1.062 159 I HN 0.466 nan 8.210 nan 0.000 0.426 160 F N 1.366 121.201 119.950 -0.191 0.000 2.335 160 F HA -0.116 4.410 4.527 -0.001 0.000 0.296 160 F C 2.607 178.363 175.800 -0.073 0.000 1.091 160 F CA 0.993 58.905 58.000 -0.145 0.000 1.399 160 F CB -0.415 38.427 39.000 -0.263 0.000 1.067 160 F HN 0.054 nan 8.300 nan 0.000 0.520 161 Q N 0.602 120.294 119.800 -0.181 0.000 2.197 161 Q HA -0.198 4.142 4.340 -0.000 0.000 0.207 161 Q C 1.890 177.737 176.000 -0.255 0.000 0.984 161 Q CA 2.214 57.886 55.803 -0.219 0.000 0.869 161 Q CB -0.556 28.119 28.738 -0.106 0.000 0.906 161 Q HN 0.445 nan 8.270 nan 0.000 0.426 162 S N 0.683 116.261 115.700 -0.203 0.000 2.365 162 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 162 S C 2.010 176.492 174.600 -0.196 0.000 1.039 162 S CA 1.605 59.715 58.200 -0.151 0.000 1.033 162 S CB -0.452 62.690 63.200 -0.098 0.000 0.887 162 S HN 0.601 nan 8.310 nan 0.000 0.447 163 S N 0.767 116.270 115.700 -0.328 0.000 2.371 163 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 163 S C 1.895 176.234 174.600 -0.435 0.000 1.029 163 S CA 1.267 59.258 58.200 -0.350 0.000 0.978 163 S CB -0.376 62.586 63.200 -0.396 0.000 0.833 163 S HN 0.340 nan 8.310 nan 0.000 0.466 164 M N 2.423 121.568 119.600 -0.758 0.000 2.115 164 M HA -0.126 4.354 4.480 -0.000 0.000 0.258 164 M C 2.257 178.445 176.300 -0.187 0.000 1.071 164 M CA 2.912 57.937 55.300 -0.457 0.000 1.100 164 M CB -1.543 30.844 32.600 -0.355 0.000 1.292 164 M HN 0.578 nan 8.290 nan 0.000 0.415 165 T N -1.040 113.421 114.554 -0.154 0.000 2.594 165 T HA -0.328 4.022 4.350 -0.000 0.000 0.266 165 T C 1.777 176.447 174.700 -0.050 0.000 1.070 165 T CA 2.382 64.436 62.100 -0.077 0.000 1.166 165 T CB -1.076 67.753 68.868 -0.065 0.000 0.862 165 T HN 0.581 nan 8.240 nan 0.000 0.436 166 K N 1.029 121.409 120.400 -0.034 0.000 2.152 166 K HA 0.055 4.375 4.320 -0.000 0.000 0.206 166 K C 2.358 178.988 176.600 0.050 0.000 1.048 166 K CA 1.611 57.918 56.287 0.033 0.000 0.933 166 K CB -0.497 32.044 32.500 0.069 0.000 0.721 166 K HN 0.483 nan 8.250 nan 0.000 0.447 167 I N 0.980 121.558 120.570 0.012 0.000 2.756 167 I HA -0.210 3.960 4.170 -0.000 0.000 0.262 167 I C 1.869 177.756 176.117 -0.382 0.000 1.225 167 I CA 0.933 62.120 61.300 -0.189 0.000 1.472 167 I CB -0.108 37.903 38.000 0.019 0.000 1.094 167 I HN 0.115 nan 8.210 nan 0.000 0.454 168 L N 0.237 121.377 121.223 -0.140 0.000 2.354 168 L HA -0.032 4.307 4.340 -0.000 0.000 0.212 168 L C 2.509 179.352 176.870 -0.045 0.000 1.091 168 L CA 0.424 55.223 54.840 -0.068 0.000 0.828 168 L CB -0.525 41.515 42.059 -0.032 0.000 0.973 168 L HN 0.286 nan 8.230 nan 0.000 0.461 169 E N 1.082 121.262 120.200 -0.035 0.000 2.197 169 E HA -0.262 4.087 4.350 -0.000 0.000 0.205 169 E C -0.841 175.744 176.600 -0.025 0.000 1.029 169 E CA 1.459 57.852 56.400 -0.012 0.000 0.828 169 E CB -1.586 28.124 29.700 0.016 0.000 0.737 169 E HN 0.362 nan 8.360 nan 0.000 0.464 170 P HA -0.136 nan 4.420 nan 0.000 0.212 170 P C 1.211 178.427 177.300 -0.142 0.000 1.180 170 P CA 1.150 64.215 63.100 -0.059 0.000 0.906 170 P CB -0.206 31.499 31.700 0.008 0.000 0.782 171 F N 0.204 119.874 119.950 -0.467 0.000 2.456 171 F HA 0.058 4.585 4.527 -0.001 0.000 0.298 171 F C 1.956 177.629 175.800 -0.211 0.000 1.104 171 F CA 1.051 58.807 58.000 -0.405 0.000 1.435 171 F CB -0.158 38.465 39.000 -0.628 0.000 1.078 171 F HN -0.264 nan 8.300 nan 0.000 0.546 172 K N -0.022 120.422 120.400 0.074 0.000 2.365 172 K HA -0.109 4.211 4.320 -0.000 0.000 0.197 172 K C 1.796 178.388 176.600 -0.013 0.000 1.042 172 K CA 0.679 57.006 56.287 0.066 0.000 0.987 172 K CB 0.113 32.645 32.500 0.052 0.000 0.779 172 K HN 0.039 nan 8.250 nan 0.000 0.484 173 K N 1.049 121.419 120.400 -0.050 0.000 2.361 173 K HA -0.036 4.283 4.320 -0.000 0.000 0.194 173 K C 1.324 177.869 176.600 -0.090 0.000 1.032 173 K CA 0.574 56.829 56.287 -0.053 0.000 1.048 173 K CB 0.424 32.903 32.500 -0.035 0.000 0.842 173 K HN 0.211 nan 8.250 nan 0.000 0.526 174 Q N -0.868 118.838 119.800 -0.157 0.000 2.246 174 Q HA 0.234 4.573 4.340 -0.000 0.000 0.202 174 Q C -0.563 175.273 176.000 -0.274 0.000 0.883 174 Q CA 0.315 55.992 55.803 -0.210 0.000 0.952 174 Q CB 0.108 28.694 28.738 -0.254 0.000 1.078 174 Q HN 0.121 nan 8.270 nan 0.000 0.493 175 N N -0.277 118.287 118.700 -0.228 0.000 2.605 175 N HA 0.170 4.910 4.740 -0.000 0.000 0.265 175 N C -2.520 172.949 175.510 -0.068 0.000 1.625 175 N CA -0.775 52.162 53.050 -0.187 0.000 0.862 175 N CB 1.177 39.475 38.487 -0.315 0.000 1.415 175 N HN 0.019 nan 8.380 nan 0.000 0.513 176 P HA -0.197 nan 4.420 nan 0.000 0.220 176 P C 1.032 178.328 177.300 -0.005 0.000 1.144 176 P CA 1.102 64.190 63.100 -0.020 0.000 0.800 176 P CB 0.115 31.799 31.700 -0.026 0.000 0.772 177 D N -0.029 120.365 120.400 -0.010 0.000 2.117 177 D HA -0.150 4.489 4.640 -0.000 0.000 0.197 177 D C 0.800 177.111 176.300 0.019 0.000 0.987 177 D CA 0.775 54.775 54.000 -0.001 0.000 0.829 177 D CB -0.770 40.027 40.800 -0.005 0.000 0.961 177 D HN 0.184 nan 8.370 nan 0.000 0.460 178 I N 1.464 122.058 120.570 0.041 0.000 2.588 178 I HA 0.031 4.201 4.170 -0.000 0.000 0.283 178 I C 0.142 176.306 176.117 0.080 0.000 1.119 178 I CA -0.533 60.815 61.300 0.080 0.000 1.419 178 I CB 1.635 39.721 38.000 0.144 0.000 1.394 178 I HN -0.197 nan 8.210 nan 0.000 0.562 179 V N 7.484 127.448 119.914 0.084 0.000 2.532 179 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 179 V C 0.039 176.210 176.094 0.129 0.000 1.041 179 V CA -0.530 61.821 62.300 0.084 0.000 0.926 179 V CB 1.867 33.726 31.823 0.059 0.000 0.992 179 V HN 0.474 nan 8.190 nan 0.000 0.457 180 I N 4.219 124.872 120.570 0.138 0.000 2.439 180 I HA 0.411 4.581 4.170 -0.000 0.000 0.285 180 I C -1.476 174.775 176.117 0.222 0.000 1.021 180 I CA -0.544 60.854 61.300 0.163 0.000 1.091 180 I CB 1.710 39.776 38.000 0.110 0.000 1.242 180 I HN 0.616 nan 8.210 nan 0.000 0.439 181 Y N 6.263 126.618 120.300 0.093 0.000 2.509 181 Y HA 0.513 5.063 4.550 -0.001 0.000 0.341 181 Y C -0.819 175.072 175.900 -0.016 0.000 1.038 181 Y CA -0.918 57.228 58.100 0.077 0.000 1.089 181 Y CB 1.782 40.341 38.460 0.165 0.000 1.241 181 Y HN 0.494 nan 8.280 nan 0.000 0.468 182 Q N 4.773 124.211 119.800 -0.604 0.000 2.310 182 Q HA 0.322 4.661 4.340 -0.000 0.000 0.270 182 Q C -2.379 173.160 176.000 -0.768 0.000 1.025 182 Q CA -0.807 54.656 55.803 -0.566 0.000 0.772 182 Q CB 1.582 30.187 28.738 -0.221 0.000 1.253 182 Q HN 0.751 nan 8.270 nan 0.000 0.450 183 Y N 5.287 125.118 120.300 -0.782 0.000 2.361 183 Y HA 0.340 4.890 4.550 -0.000 0.000 0.337 183 Y C 0.376 176.124 175.900 -0.253 0.000 0.965 183 Y CA -0.373 57.417 58.100 -0.517 0.000 1.091 183 Y CB 1.140 39.344 38.460 -0.427 0.000 1.182 183 Y HN 1.022 nan 8.280 nan 0.000 0.450 184 M N 2.473 121.611 119.600 -0.771 0.000 7.319 184 M HA -0.447 4.033 4.480 -0.000 0.000 0.297 184 M C 0.475 176.715 176.300 -0.100 0.000 0.480 184 M CA 2.849 57.887 55.300 -0.438 0.000 1.311 184 M CB -1.244 31.162 32.600 -0.324 0.000 0.421 184 M HN 0.790 nan 8.290 nan 0.000 0.598 185 D N -0.219 120.161 120.400 -0.034 0.000 2.366 185 D HA 0.170 4.810 4.640 -0.000 0.000 0.205 185 D C -0.233 175.987 176.300 -0.134 0.000 1.022 185 D CA 0.523 54.448 54.000 -0.124 0.000 0.868 185 D CB 0.041 40.763 40.800 -0.131 0.000 0.953 185 D HN 0.406 nan 8.370 nan 0.000 0.514 186 D N 0.461 120.827 120.400 -0.056 0.000 2.312 186 D HA 0.341 4.981 4.640 -0.000 0.000 0.248 186 D C -0.564 175.549 176.300 -0.311 0.000 1.086 186 D CA -0.387 53.550 54.000 -0.106 0.000 0.948 186 D CB 2.078 42.913 40.800 0.058 0.000 1.162 186 D HN -0.088 nan 8.370 nan 0.000 0.446 187 L N 2.203 123.278 121.223 -0.247 0.000 2.404 187 L HA 0.286 4.625 4.340 -0.000 0.000 0.272 187 L C -1.473 175.368 176.870 -0.049 0.000 0.980 187 L CA -0.567 54.140 54.840 -0.222 0.000 0.836 187 L CB 0.954 42.964 42.059 -0.082 0.000 1.238 187 L HN 0.294 nan 8.230 nan 0.000 0.408 188 Y N 4.188 124.550 120.300 0.104 0.000 2.313 188 Y HA 0.596 5.146 4.550 -0.000 0.000 0.332 188 Y C 0.069 176.048 175.900 0.133 0.000 1.071 188 Y CA -1.328 56.855 58.100 0.138 0.000 1.169 188 Y CB 1.497 40.077 38.460 0.200 0.000 1.192 188 Y HN 0.254 nan 8.280 nan 0.000 0.487 189 V N 2.301 122.386 119.914 0.286 0.000 2.325 189 V HA 0.508 4.628 4.120 -0.000 0.000 0.280 189 V C 0.238 176.462 176.094 0.217 0.000 1.016 189 V CA -0.851 61.578 62.300 0.215 0.000 0.818 189 V CB 0.860 32.784 31.823 0.167 0.000 1.019 189 V HN 0.961 nan 8.190 nan 0.000 0.434 190 G N 2.726 111.627 108.800 0.168 0.000 2.332 190 G HA2 0.638 4.597 3.960 -0.000 0.000 0.310 190 G HA3 0.638 4.597 3.960 -0.000 0.000 0.310 190 G C 0.045 174.984 174.900 0.064 0.000 1.123 190 G CA 0.369 45.529 45.100 0.100 0.000 0.873 190 G HN 0.934 nan 8.290 nan 0.000 0.460 191 S N 0.337 116.020 115.700 -0.029 0.000 3.255 191 S HA 0.611 5.081 4.470 -0.000 0.000 0.305 191 S C -0.242 174.290 174.600 -0.114 0.000 1.067 191 S CA -0.471 57.700 58.200 -0.048 0.000 0.966 191 S CB 2.094 65.295 63.200 0.003 0.000 1.366 191 S HN 0.338 nan 8.310 nan 0.000 0.717 192 D N -0.471 119.869 120.400 -0.101 0.000 2.410 192 D HA 0.310 4.950 4.640 -0.000 0.000 0.275 192 D C 0.144 176.404 176.300 -0.067 0.000 1.152 192 D CA 0.005 53.955 54.000 -0.084 0.000 0.825 192 D CB 0.386 41.162 40.800 -0.040 0.000 1.312 192 D HN 0.354 nan 8.370 nan 0.000 0.532 193 L N 1.599 122.803 121.223 -0.033 0.000 2.483 193 L HA 0.048 4.388 4.340 -0.000 0.000 0.277 193 L C 0.933 177.832 176.870 0.048 0.000 1.248 193 L CA 0.196 55.056 54.840 0.034 0.000 0.825 193 L CB 0.308 42.430 42.059 0.106 0.000 1.096 193 L HN -0.121 nan 8.230 nan 0.000 0.512 194 E N 0.823 121.060 120.200 0.062 0.000 2.373 194 E HA 0.006 4.356 4.350 -0.000 0.000 0.263 194 E C 0.650 177.331 176.600 0.134 0.000 1.073 194 E CA -0.176 56.264 56.400 0.065 0.000 0.894 194 E CB 0.866 30.590 29.700 0.040 0.000 1.008 194 E HN 0.380 nan 8.360 nan 0.000 0.420 195 I N 3.594 124.247 120.570 0.138 0.000 2.229 195 I HA -0.239 3.930 4.170 -0.000 0.000 0.250 195 I C 1.672 177.854 176.117 0.109 0.000 1.096 195 I CA 2.475 63.877 61.300 0.171 0.000 1.358 195 I CB -0.646 37.434 38.000 0.133 0.000 1.047 195 I HN 0.730 nan 8.210 nan 0.000 0.422 196 G N -1.060 107.787 108.800 0.079 0.000 2.491 196 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 196 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 196 G C 1.483 176.415 174.900 0.053 0.000 1.180 196 G CA 1.162 46.295 45.100 0.055 0.000 0.774 196 G HN 0.452 nan 8.290 nan 0.000 0.562 197 Q N -1.214 118.629 119.800 0.071 0.000 2.304 197 Q HA 0.134 4.474 4.340 -0.000 0.000 0.204 197 Q C 2.089 178.146 176.000 0.094 0.000 0.936 197 Q CA 1.036 56.880 55.803 0.069 0.000 0.878 197 Q CB -0.537 28.240 28.738 0.064 0.000 0.983 197 Q HN 0.704 nan 8.270 nan 0.000 0.516 198 H N 1.072 120.170 119.070 0.047 0.000 2.390 198 H HA -0.088 4.468 4.556 -0.001 0.000 0.298 198 H C 1.929 177.297 175.328 0.066 0.000 1.106 198 H CA 2.083 58.167 56.048 0.061 0.000 1.297 198 H CB 0.174 29.975 29.762 0.065 0.000 1.375 198 H HN 0.103 nan 8.280 nan 0.000 0.509 199 R N -0.630 119.747 120.500 -0.205 0.000 2.073 199 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 199 R C 1.736 177.957 176.300 -0.131 0.000 1.120 199 R CA 1.612 57.564 56.100 -0.246 0.000 0.967 199 R CB -0.118 30.130 30.300 -0.087 0.000 0.862 199 R HN 0.387 nan 8.270 nan 0.000 0.436 200 T N 0.951 115.476 114.554 -0.048 0.000 3.007 200 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 200 T C 1.533 176.239 174.700 0.010 0.000 1.107 200 T CA 1.155 63.248 62.100 -0.011 0.000 1.118 200 T CB -0.001 68.875 68.868 0.014 0.000 0.889 200 T HN 0.300 nan 8.240 nan 0.000 0.506 201 K N 0.790 121.201 120.400 0.017 0.000 2.098 201 K HA 0.051 4.370 4.320 -0.000 0.000 0.203 201 K C 2.033 178.681 176.600 0.080 0.000 1.051 201 K CA 0.534 56.883 56.287 0.104 0.000 0.957 201 K CB -0.021 32.577 32.500 0.163 0.000 0.738 201 K HN 0.148 nan 8.250 nan 0.000 0.447 202 I N 2.344 122.887 120.570 -0.045 0.000 2.361 202 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 202 I C 2.273 178.337 176.117 -0.089 0.000 1.133 202 I CA 1.382 62.626 61.300 -0.093 0.000 1.413 202 I CB -0.904 37.002 38.000 -0.156 0.000 1.073 202 I HN 0.428 nan 8.210 nan 0.000 0.424 203 E N 1.083 121.248 120.200 -0.059 0.000 2.338 203 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 203 E C 1.684 178.277 176.600 -0.011 0.000 1.007 203 E CA 0.957 57.334 56.400 -0.040 0.000 0.849 203 E CB 0.214 29.899 29.700 -0.025 0.000 0.774 203 E HN 0.566 nan 8.360 nan 0.000 0.506 204 E N 0.028 120.241 120.200 0.022 0.000 2.140 204 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 204 E C 2.024 178.598 176.600 -0.042 0.000 0.973 204 E CA 0.165 56.616 56.400 0.085 0.000 0.829 204 E CB -0.010 29.846 29.700 0.260 0.000 0.781 204 E HN 0.157 nan 8.360 nan 0.000 0.466 205 L N 2.060 123.096 121.223 -0.311 0.000 2.079 205 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 205 L C 2.019 178.744 176.870 -0.241 0.000 1.081 205 L CA 1.683 56.133 54.840 -0.650 0.000 0.752 205 L CB -0.299 41.295 42.059 -0.776 0.000 0.896 205 L HN -0.020 nan 8.230 nan 0.000 0.433 206 R N -1.015 119.406 120.500 -0.132 0.000 2.088 206 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 206 R C 2.080 178.378 176.300 -0.004 0.000 1.136 206 R CA 1.578 57.642 56.100 -0.060 0.000 0.926 206 R CB -0.737 29.533 30.300 -0.049 0.000 0.837 206 R HN 0.418 nan 8.270 nan 0.000 0.429 207 Q N -0.020 119.796 119.800 0.027 0.000 2.308 207 Q HA -0.211 4.129 4.340 -0.000 0.000 0.209 207 Q C 1.848 177.920 176.000 0.121 0.000 0.985 207 Q CA 1.577 57.422 55.803 0.071 0.000 0.881 207 Q CB -0.376 28.411 28.738 0.081 0.000 0.917 207 Q HN 0.519 nan 8.270 nan 0.000 0.443 208 H N 0.195 119.257 119.070 -0.013 0.000 2.317 208 H HA 0.078 4.633 4.556 -0.000 0.000 0.304 208 H C 1.884 177.199 175.328 -0.021 0.000 1.067 208 H CA 1.115 57.141 56.048 -0.037 0.000 1.352 208 H CB -0.126 29.540 29.762 -0.161 0.000 1.398 208 H HN 0.099 nan 8.280 nan 0.000 0.510 209 L N 0.455 121.635 121.223 -0.073 0.000 2.275 209 L HA -0.078 4.262 4.340 -0.000 0.000 0.215 209 L C 2.126 179.028 176.870 0.054 0.000 1.119 209 L CA 0.783 55.593 54.840 -0.051 0.000 0.790 209 L CB -0.331 41.707 42.059 -0.035 0.000 0.919 209 L HN 0.379 nan 8.230 nan 0.000 0.443 210 L N -2.238 119.018 121.223 0.055 0.000 2.162 210 L HA 0.069 4.409 4.340 -0.000 0.000 0.205 210 L C 1.859 178.784 176.870 0.091 0.000 1.086 210 L CA 1.293 56.171 54.840 0.063 0.000 0.778 210 L CB -0.458 41.624 42.059 0.040 0.000 0.928 210 L HN -0.091 nan 8.230 nan 0.000 0.446 211 R N -0.826 119.750 120.500 0.127 0.000 2.752 211 R HA 0.108 4.448 4.340 -0.000 0.000 0.279 211 R C -0.356 176.055 176.300 0.185 0.000 1.212 211 R CA 0.088 56.266 56.100 0.130 0.000 1.169 211 R CB -0.896 29.486 30.300 0.137 0.000 1.286 211 R HN 0.578 nan 8.270 nan 0.000 0.564 212 W N -1.634 119.617 121.300 -0.083 0.000 1.526 212 W HA 0.252 4.912 4.660 -0.000 0.000 0.218 212 W C 1.166 177.668 176.519 -0.029 0.000 0.797 212 W CA 0.430 57.720 57.345 -0.091 0.000 0.997 212 W CB 0.886 30.223 29.460 -0.205 0.000 0.926 212 W HN 0.343 nan 8.180 nan 0.000 0.483 213 G N 0.468 109.349 108.800 0.134 0.000 3.102 213 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.200 213 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.200 213 G C 0.278 175.228 174.900 0.083 0.000 1.685 213 G CA -0.305 44.853 45.100 0.098 0.000 1.299 213 G HN -0.020 nan 8.290 nan 0.000 0.576 214 L N 1.831 123.113 121.223 0.100 0.000 2.586 214 L HA 0.355 4.695 4.340 -0.000 0.000 0.307 214 L C 0.221 177.103 176.870 0.020 0.000 1.274 214 L CA 1.145 56.012 54.840 0.044 0.000 0.857 214 L CB -0.107 41.981 42.059 0.049 0.000 1.099 214 L HN 0.433 nan 8.230 nan 0.000 0.525 215 T N 0.548 115.096 114.554 -0.010 0.000 3.143 215 T HA 0.375 4.725 4.350 -0.000 0.000 0.312 215 T C -0.556 174.125 174.700 -0.032 0.000 0.986 215 T CA -0.578 61.516 62.100 -0.010 0.000 1.024 215 T CB 1.628 70.498 68.868 0.004 0.000 1.030 215 T HN 0.576 nan 8.240 nan 0.000 0.448 216 T N 5.105 119.639 114.554 -0.033 0.000 2.840 216 T HA 0.606 4.955 4.350 -0.000 0.000 0.287 216 T C -1.986 172.690 174.700 -0.040 0.000 0.991 216 T CA -1.004 61.069 62.100 -0.045 0.000 0.964 216 T CB 1.482 70.317 68.868 -0.055 0.000 0.954 216 T HN 0.445 nan 8.240 nan 0.000 0.438 232 Y N 0.422 120.733 120.300 0.018 0.000 2.523 232 Y HA 0.164 4.713 4.550 -0.000 0.000 0.279 232 Y C 1.705 177.607 175.900 0.004 0.000 1.139 232 Y CA 0.087 58.194 58.100 0.012 0.000 1.296 232 Y CB 0.138 38.609 38.460 0.018 0.000 1.045 232 Y HN 0.488 nan 8.280 nan 0.000 0.538 233 E N 1.478 121.775 120.200 0.162 0.000 2.421 233 E HA 0.386 4.735 4.350 -0.000 0.000 0.253 233 E C -0.523 175.965 176.600 -0.187 0.000 1.277 233 E CA -0.117 56.320 56.400 0.061 0.000 0.968 233 E CB 1.250 31.057 29.700 0.178 0.000 1.040 233 E HN 0.198 nan 8.360 nan 0.000 0.512 234 L N -0.173 120.793 121.223 -0.427 0.000 2.518 234 L HA 0.329 4.668 4.340 -0.000 0.000 0.257 234 L C -0.703 175.670 176.870 -0.830 0.000 0.980 234 L CA -0.733 53.737 54.840 -0.618 0.000 0.837 234 L CB 2.176 44.086 42.059 -0.249 0.000 1.410 234 L HN 0.634 nan 8.230 nan 0.000 0.410 235 H N -0.673 118.415 119.070 0.030 0.000 3.225 235 H HA 0.108 4.664 4.556 -0.000 0.000 0.205 235 H C -2.552 172.813 175.328 0.061 0.000 1.314 235 H CA -1.097 54.965 56.048 0.024 0.000 1.336 235 H CB 0.324 30.099 29.762 0.020 0.000 2.276 235 H HN 0.269 nan 8.280 nan 0.000 0.535 236 P HA -0.241 nan 4.420 nan 0.000 0.219 236 P C 1.444 178.828 177.300 0.140 0.000 1.151 236 P CA 2.010 65.190 63.100 0.133 0.000 0.850 236 P CB 0.369 32.096 31.700 0.047 0.000 0.784 237 D N -0.787 119.668 120.400 0.091 0.000 2.183 237 D HA -0.134 4.506 4.640 -0.000 0.000 0.203 237 D C 1.249 177.621 176.300 0.119 0.000 0.969 237 D CA 0.777 54.816 54.000 0.064 0.000 0.842 237 D CB -0.440 40.372 40.800 0.021 0.000 0.957 237 D HN -0.004 nan 8.370 nan 0.000 0.484 238 K N -0.255 120.245 120.400 0.167 0.000 3.322 238 K HA 0.085 4.405 4.320 -0.000 0.000 0.291 238 K C -1.366 175.405 176.600 0.285 0.000 1.131 238 K CA -0.262 56.124 56.287 0.164 0.000 1.185 238 K CB -0.299 32.262 32.500 0.101 0.000 1.338 238 K HN 0.165 nan 8.250 nan 0.000 0.380 239 W N 0.569 121.890 121.300 0.034 0.000 4.316 239 W HA 0.109 4.769 4.660 -0.001 0.000 0.283 239 W C -1.312 175.217 176.519 0.017 0.000 1.252 239 W CA -0.649 56.714 57.345 0.030 0.000 1.358 239 W CB 0.046 29.531 29.460 0.041 0.000 1.144 239 W HN -0.075 nan 8.180 nan 0.000 0.466 240 T N 3.457 118.016 114.554 0.009 0.000 2.788 240 T HA 0.435 4.785 4.350 -0.000 0.000 0.287 240 T C 0.329 174.808 174.700 -0.370 0.000 1.007 240 T CA -0.266 61.753 62.100 -0.136 0.000 1.005 240 T CB 0.746 69.598 68.868 -0.026 0.000 1.012 240 T HN 0.585 nan 8.240 nan 0.000 0.530 241 V N 0.512 120.294 119.914 -0.219 0.000 2.530 241 V HA 0.372 4.491 4.120 -0.000 0.000 0.282 241 V C 0.082 176.083 176.094 -0.155 0.000 1.048 241 V CA -0.926 61.250 62.300 -0.206 0.000 0.997 241 V CB 0.669 32.448 31.823 -0.073 0.000 0.987 241 V HN 0.850 nan 8.190 nan 0.000 0.477 242 Q N 5.124 124.827 119.800 -0.161 0.000 2.279 242 Q HA 0.461 4.801 4.340 -0.000 0.000 0.256 242 Q C -2.337 173.667 176.000 0.006 0.000 0.937 242 Q CA -1.686 54.080 55.803 -0.062 0.000 0.933 242 Q CB 1.367 30.082 28.738 -0.039 0.000 1.189 242 Q HN 0.749 nan 8.270 nan 0.000 0.417 243 P HA -0.001 nan 4.420 nan 0.000 0.271 243 P C -0.605 176.727 177.300 0.053 0.000 1.244 243 P CA -0.083 63.046 63.100 0.048 0.000 0.793 243 P CB 0.448 32.169 31.700 0.035 0.000 0.984 244 I N 1.219 121.821 120.570 0.053 0.000 2.206 244 I HA 0.140 4.309 4.170 -0.000 0.000 0.292 244 I C 0.016 176.142 176.117 0.015 0.000 1.156 244 I CA -0.599 60.714 61.300 0.022 0.000 1.356 244 I CB -0.397 37.610 38.000 0.011 0.000 1.494 244 I HN -0.039 nan 8.210 nan 0.000 0.601 245 V N 7.378 127.309 119.914 0.028 0.000 3.139 245 V HA 0.176 4.296 4.120 -0.000 0.000 0.307 245 V C 0.199 176.313 176.094 0.032 0.000 1.095 245 V CA 0.252 62.568 62.300 0.027 0.000 1.160 245 V CB 1.272 33.119 31.823 0.040 0.000 1.003 245 V HN 0.625 nan 8.190 nan 0.000 0.489 246 L N 5.045 126.289 121.223 0.034 0.000 2.279 246 L HA 0.612 4.952 4.340 -0.000 0.000 0.262 246 L C -2.094 174.836 176.870 0.100 0.000 1.019 246 L CA -1.862 53.011 54.840 0.055 0.000 0.823 246 L CB 2.075 44.145 42.059 0.019 0.000 1.358 246 L HN 0.548 nan 8.230 nan 0.000 0.432 247 P HA 0.069 nan 4.420 nan 0.000 0.272 247 P C -1.132 176.329 177.300 0.270 0.000 1.240 247 P CA -0.211 63.021 63.100 0.219 0.000 0.791 247 P CB 1.019 32.910 31.700 0.318 0.000 0.978 248 E N 0.589 120.893 120.200 0.173 0.000 3.651 248 E HA 0.179 4.529 4.350 -0.000 0.000 0.220 248 E C -0.614 176.024 176.600 0.065 0.000 1.222 248 E CA -0.388 56.108 56.400 0.161 0.000 1.114 248 E CB 0.220 29.970 29.700 0.084 0.000 1.278 248 E HN 0.287 nan 8.360 nan 0.000 0.412 249 K N 0.522 120.927 120.400 0.009 0.000 2.168 249 K HA 0.245 4.565 4.320 -0.000 0.000 0.239 249 K C -0.242 176.290 176.600 -0.112 0.000 0.999 249 K CA -0.662 55.413 56.287 -0.353 0.000 0.900 249 K CB 0.909 32.707 32.500 -1.170 0.000 1.111 249 K HN 0.169 nan 8.250 nan 0.000 0.452 250 D N -0.893 119.387 120.400 -0.201 0.000 2.650 250 D HA 0.126 4.765 4.640 -0.000 0.000 0.265 250 D C -1.065 175.190 176.300 -0.075 0.000 1.339 250 D CA -0.459 53.529 54.000 -0.019 0.000 0.816 250 D CB 0.402 41.200 40.800 -0.005 0.000 1.091 250 D HN 0.246 nan 8.370 nan 0.000 0.483 251 S N -0.182 115.325 115.700 -0.321 0.000 2.582 251 S HA 0.341 4.811 4.470 -0.000 0.000 0.296 251 S C -1.727 172.590 174.600 -0.472 0.000 1.118 251 S CA -1.031 57.046 58.200 -0.205 0.000 0.947 251 S CB 0.068 63.173 63.200 -0.158 0.000 1.131 251 S HN 0.189 nan 8.310 nan 0.000 0.453 252 W N 2.393 123.691 121.300 -0.003 0.000 2.471 252 W HA 0.579 5.239 4.660 -0.000 0.000 0.318 252 W C 0.843 177.361 176.519 -0.002 0.000 1.034 252 W CA -0.628 56.715 57.345 -0.003 0.000 1.224 252 W CB 1.233 30.691 29.460 -0.005 0.000 1.335 252 W HN 0.704 nan 8.180 nan 0.000 0.452 253 T N -1.728 112.909 114.554 0.139 0.000 2.770 253 T HA 0.206 4.555 4.350 -0.000 0.000 0.281 253 T C 0.954 175.724 174.700 0.117 0.000 0.981 253 T CA -0.544 61.612 62.100 0.092 0.000 0.955 253 T CB 0.897 69.789 68.868 0.040 0.000 1.060 253 T HN 0.209 nan 8.240 nan 0.000 0.531 254 V N 2.310 122.270 119.914 0.077 0.000 2.295 254 V HA -0.166 3.953 4.120 -0.000 0.000 0.246 254 V C 2.971 179.108 176.094 0.072 0.000 1.049 254 V CA 2.222 64.562 62.300 0.067 0.000 1.024 254 V CB -1.177 30.673 31.823 0.045 0.000 0.648 254 V HN 1.016 nan 8.190 nan 0.000 0.447 255 N N 0.069 118.809 118.700 0.066 0.000 2.250 255 N HA -0.205 4.535 4.740 -0.000 0.000 0.181 255 N C 1.663 177.229 175.510 0.095 0.000 1.017 255 N CA 1.681 54.771 53.050 0.066 0.000 0.866 255 N CB -0.664 37.853 38.487 0.050 0.000 0.985 255 N HN 0.432 nan 8.380 nan 0.000 0.429 256 D N 0.887 121.356 120.400 0.114 0.000 2.172 256 D HA -0.128 4.511 4.640 -0.000 0.000 0.196 256 D C 1.898 178.363 176.300 0.276 0.000 0.999 256 D CA 0.832 54.937 54.000 0.175 0.000 0.856 256 D CB -0.103 40.790 40.800 0.155 0.000 0.934 256 D HN 0.440 nan 8.370 nan 0.000 0.453 257 I N -0.175 120.525 120.570 0.218 0.000 2.296 257 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 257 I C 2.388 178.547 176.117 0.070 0.000 1.087 257 I CA 0.368 61.750 61.300 0.137 0.000 1.393 257 I CB -0.185 37.865 38.000 0.084 0.000 1.093 257 I HN -0.065 nan 8.210 nan 0.000 0.421 258 Q N 0.763 120.602 119.800 0.065 0.000 2.389 258 Q HA -0.242 4.097 4.340 -0.000 0.000 0.213 258 Q C 1.873 177.905 176.000 0.054 0.000 0.989 258 Q CA 1.339 57.171 55.803 0.047 0.000 0.891 258 Q CB -0.045 28.722 28.738 0.048 0.000 0.923 258 Q HN 0.478 nan 8.270 nan 0.000 0.455 259 K N 0.046 120.490 120.400 0.075 0.000 2.019 259 K HA -0.061 4.259 4.320 -0.000 0.000 0.209 259 K C 1.807 178.442 176.600 0.058 0.000 1.032 259 K CA 0.422 56.758 56.287 0.081 0.000 0.947 259 K CB -0.348 32.215 32.500 0.105 0.000 0.757 259 K HN 0.032 nan 8.250 nan 0.000 0.444 260 L N 1.839 123.103 121.223 0.068 0.000 2.283 260 L HA -0.214 4.125 4.340 -0.000 0.000 0.217 260 L C 1.897 178.740 176.870 -0.045 0.000 1.104 260 L CA 1.399 56.246 54.840 0.012 0.000 0.772 260 L CB -0.375 41.675 42.059 -0.016 0.000 0.899 260 L HN 0.030 nan 8.230 nan 0.000 0.439 261 V N -1.073 118.824 119.914 -0.028 0.000 2.249 261 V HA -0.075 4.044 4.120 -0.000 0.000 0.239 261 V C 2.512 178.585 176.094 -0.034 0.000 1.038 261 V CA 1.606 63.882 62.300 -0.041 0.000 1.005 261 V CB -1.344 30.466 31.823 -0.021 0.000 0.646 261 V HN 0.484 nan 8.190 nan 0.000 0.455 262 G N -0.119 108.685 108.800 0.006 0.000 2.475 262 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.220 262 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.220 262 G C 1.604 176.488 174.900 -0.027 0.000 1.125 262 G CA 1.432 46.553 45.100 0.035 0.000 0.755 262 G HN 0.534 nan 8.290 nan 0.000 0.565 263 K N 0.122 120.471 120.400 -0.084 0.000 1.984 263 K HA 0.073 4.392 4.320 -0.000 0.000 0.209 263 K C 2.425 178.769 176.600 -0.426 0.000 1.046 263 K CA 0.893 57.001 56.287 -0.300 0.000 0.934 263 K CB -0.380 32.039 32.500 -0.135 0.000 0.717 263 K HN 0.309 nan 8.250 nan 0.000 0.438 264 L N 1.579 122.662 121.223 -0.232 0.000 2.265 264 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 264 L C 2.315 179.080 176.870 -0.175 0.000 1.117 264 L CA 1.029 55.749 54.840 -0.200 0.000 0.782 264 L CB -0.685 41.289 42.059 -0.142 0.000 0.914 264 L HN 0.433 nan 8.230 nan 0.000 0.441 265 N N -0.181 118.438 118.700 -0.136 0.000 2.084 265 N HA -0.247 4.493 4.740 -0.000 0.000 0.190 265 N C 1.675 177.122 175.510 -0.104 0.000 1.030 265 N CA 1.734 54.736 53.050 -0.081 0.000 0.849 265 N CB -0.264 38.230 38.487 0.010 0.000 1.012 265 N HN 0.241 nan 8.380 nan 0.000 0.423 266 W N 0.386 121.452 121.300 -0.389 0.000 2.523 266 W HA 0.398 5.057 4.660 -0.001 0.000 0.278 266 W C 2.115 178.346 176.519 -0.481 0.000 1.236 266 W CA 0.897 57.984 57.345 -0.430 0.000 1.306 266 W CB -0.456 28.623 29.460 -0.635 0.000 1.101 266 W HN 0.158 nan 8.180 nan 0.000 0.577 267 A N -0.081 122.489 122.820 -0.416 0.000 2.264 267 A HA -0.072 4.248 4.320 -0.000 0.000 0.207 267 A C 1.910 179.477 177.584 -0.028 0.000 1.196 267 A CA 1.629 53.540 52.037 -0.211 0.000 0.778 267 A CB -0.977 17.866 19.000 -0.261 0.000 0.779 267 A HN 0.230 nan 8.150 nan 0.000 0.483 268 S N -0.955 114.684 115.700 -0.101 0.000 2.421 268 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 268 S C 1.687 176.211 174.600 -0.127 0.000 1.035 268 S CA 0.782 58.936 58.200 -0.078 0.000 0.953 268 S CB -0.351 62.769 63.200 -0.134 0.000 0.810 268 S HN 0.533 nan 8.310 nan 0.000 0.497 269 Q N 0.566 120.199 119.800 -0.278 0.000 2.291 269 Q HA 0.181 4.521 4.340 -0.000 0.000 0.206 269 Q C 1.700 177.521 176.000 -0.299 0.000 0.976 269 Q CA 1.062 56.567 55.803 -0.497 0.000 0.875 269 Q CB -0.418 27.595 28.738 -1.209 0.000 0.927 269 Q HN 0.645 nan 8.270 nan 0.000 0.450 270 I N -1.005 119.495 120.570 -0.118 0.000 3.793 270 I HA -0.010 4.160 4.170 -0.000 0.000 0.315 270 I C -0.847 174.924 176.117 -0.578 0.000 1.275 270 I CA 0.307 61.477 61.300 -0.216 0.000 1.214 270 I CB 0.379 38.299 38.000 -0.132 0.000 1.018 270 I HN 0.009 nan 8.210 nan 0.000 0.439 271 Y N 0.892 121.165 120.300 -0.045 0.000 2.347 271 Y HA 0.309 4.859 4.550 -0.000 0.000 0.339 271 Y C -1.864 173.991 175.900 -0.074 0.000 1.152 271 Y CA -1.518 56.559 58.100 -0.039 0.000 1.321 271 Y CB 0.642 39.081 38.460 -0.036 0.000 1.137 271 Y HN -0.073 nan 8.280 nan 0.000 0.486 272 P HA -0.130 nan 4.420 nan 0.000 0.222 272 P C 0.728 178.024 177.300 -0.006 0.000 1.142 272 P CA 1.131 64.215 63.100 -0.027 0.000 0.788 272 P CB 0.424 32.099 31.700 -0.041 0.000 0.767 273 G N 0.309 109.136 108.800 0.044 0.000 2.873 273 G HA2 0.563 4.523 3.960 -0.000 0.000 0.340 273 G HA3 0.563 4.523 3.960 -0.000 0.000 0.340 273 G C -0.981 173.917 174.900 -0.004 0.000 1.171 273 G CA -0.245 44.864 45.100 0.015 0.000 1.113 273 G HN 0.184 nan 8.290 nan 0.000 0.471 274 I N 1.743 122.291 120.570 -0.035 0.000 2.651 274 I HA 0.223 4.393 4.170 -0.000 0.000 0.287 274 I C -0.786 175.287 176.117 -0.074 0.000 1.244 274 I CA -0.998 60.260 61.300 -0.070 0.000 1.061 274 I CB 1.996 39.955 38.000 -0.070 0.000 1.286 274 I HN 0.173 nan 8.210 nan 0.000 0.434 275 K N 5.466 125.817 120.400 -0.081 0.000 2.382 275 K HA 0.137 4.457 4.320 -0.000 0.000 0.275 275 K C 0.317 176.867 176.600 -0.083 0.000 1.009 275 K CA 0.120 56.361 56.287 -0.077 0.000 0.970 275 K CB 1.956 34.410 32.500 -0.077 0.000 0.934 275 K HN 0.501 nan 8.250 nan 0.000 0.479 276 V N 3.067 122.937 119.914 -0.073 0.000 3.097 276 V HA -0.034 4.086 4.120 -0.000 0.000 0.223 276 V C 1.894 177.949 176.094 -0.066 0.000 1.199 276 V CA 0.210 62.467 62.300 -0.071 0.000 1.260 276 V CB 0.033 31.818 31.823 -0.063 0.000 1.155 276 V HN 0.690 nan 8.190 nan 0.000 0.509 277 R N 0.375 120.841 120.500 -0.056 0.000 2.159 277 R HA -0.234 4.106 4.340 -0.000 0.000 0.249 277 R C 2.261 178.529 176.300 -0.054 0.000 1.136 277 R CA 2.298 58.369 56.100 -0.049 0.000 0.951 277 R CB -1.275 29.000 30.300 -0.042 0.000 0.876 277 R HN 0.580 nan 8.270 nan 0.000 0.440 278 Q N 0.140 119.904 119.800 -0.061 0.000 2.217 278 Q HA -0.110 4.230 4.340 -0.000 0.000 0.209 278 Q C 2.128 178.080 176.000 -0.079 0.000 0.988 278 Q CA 1.309 57.072 55.803 -0.066 0.000 0.878 278 Q CB -0.102 28.592 28.738 -0.072 0.000 0.909 278 Q HN 0.415 nan 8.270 nan 0.000 0.424 279 L N -0.772 120.395 121.223 -0.092 0.000 2.590 279 L HA 0.073 4.413 4.340 -0.000 0.000 0.227 279 L C 2.166 178.990 176.870 -0.077 0.000 1.099 279 L CA 0.255 55.029 54.840 -0.109 0.000 0.872 279 L CB 0.042 42.013 42.059 -0.147 0.000 1.088 279 L HN 0.045 nan 8.230 nan 0.000 0.479 280 S N 0.029 115.692 115.700 -0.060 0.000 2.439 280 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 280 S C 1.959 176.540 174.600 -0.032 0.000 1.029 280 S CA 0.750 58.925 58.200 -0.042 0.000 0.946 280 S CB 0.166 63.343 63.200 -0.038 0.000 0.797 280 S HN 0.250 nan 8.310 nan 0.000 0.504 281 K N 0.395 120.774 120.400 -0.036 0.000 2.063 281 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 281 K C 1.547 178.134 176.600 -0.022 0.000 1.048 281 K CA 1.329 57.600 56.287 -0.027 0.000 0.928 281 K CB -0.339 32.143 32.500 -0.030 0.000 0.713 281 K HN 0.311 nan 8.250 nan 0.000 0.442 282 L N 0.804 122.011 121.223 -0.027 0.000 2.563 282 L HA -0.148 4.192 4.340 -0.000 0.000 0.230 282 L C 0.473 177.340 176.870 -0.004 0.000 1.162 282 L CA 1.267 56.097 54.840 -0.017 0.000 0.812 282 L CB -0.941 41.103 42.059 -0.025 0.000 0.935 282 L HN 0.254 nan 8.230 nan 0.000 0.451 283 L N -4.543 116.677 121.223 -0.004 0.000 2.614 283 L HA 0.545 4.885 4.340 -0.000 0.000 0.264 283 L C 0.187 177.058 176.870 0.001 0.000 0.940 283 L CA -0.681 54.161 54.840 0.003 0.000 0.903 283 L CB 1.564 43.629 42.059 0.010 0.000 1.306 283 L HN -0.207 nan 8.230 nan 0.000 0.410 284 R N 1.874 122.375 120.500 0.002 0.000 2.566 284 R HA 0.573 4.913 4.340 -0.000 0.000 0.388 284 R C 0.047 176.350 176.300 0.004 0.000 0.989 284 R CA 0.281 56.382 56.100 0.002 0.000 1.164 284 R CB 1.191 31.490 30.300 -0.002 0.000 1.459 284 R HN 0.986 nan 8.270 nan 0.000 0.553 285 G N -0.775 108.029 108.800 0.007 0.000 2.680 285 G HA2 0.203 4.163 3.960 -0.000 0.000 0.290 285 G HA3 0.203 4.163 3.960 -0.000 0.000 0.290 285 G C -0.775 174.131 174.900 0.011 0.000 1.355 285 G CA -0.588 44.517 45.100 0.008 0.000 0.903 285 G HN 0.080 nan 8.290 nan 0.000 0.474 286 T N 0.072 114.633 114.554 0.011 0.000 2.961 286 T HA 0.352 4.702 4.350 -0.000 0.000 0.270 286 T C 0.053 174.761 174.700 0.014 0.000 0.926 286 T CA -0.223 61.885 62.100 0.013 0.000 1.112 286 T CB 0.135 69.010 68.868 0.012 0.000 0.926 286 T HN 0.193 nan 8.240 nan 0.000 0.612 287 K N 2.270 122.679 120.400 0.016 0.000 2.123 287 K HA 0.626 4.945 4.320 -0.000 0.000 0.259 287 K C 0.239 176.850 176.600 0.019 0.000 0.960 287 K CA -0.851 55.446 56.287 0.017 0.000 0.872 287 K CB 1.859 34.370 32.500 0.020 0.000 1.079 287 K HN 0.742 nan 8.250 nan 0.000 0.440 288 A N 4.023 126.854 122.820 0.017 0.000 2.515 288 A HA 0.059 4.379 4.320 -0.000 0.000 0.263 288 A C 1.552 179.148 177.584 0.020 0.000 1.096 288 A CA 0.054 52.101 52.037 0.017 0.000 0.769 288 A CB -0.405 18.603 19.000 0.014 0.000 1.040 288 A HN 0.803 nan 8.150 nan 0.000 0.505 289 L N 2.483 123.719 121.223 0.021 0.000 2.081 289 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 289 L C 2.595 179.478 176.870 0.023 0.000 1.080 289 L CA 2.108 56.963 54.840 0.024 0.000 0.754 289 L CB -0.783 41.290 42.059 0.022 0.000 0.893 289 L HN 0.827 nan 8.230 nan 0.000 0.433 290 T N -1.871 112.692 114.554 0.016 0.000 2.867 290 T HA -0.174 4.175 4.350 -0.000 0.000 0.268 290 T C 0.841 175.549 174.700 0.014 0.000 1.057 290 T CA 0.242 62.349 62.100 0.011 0.000 1.136 290 T CB -0.313 68.559 68.868 0.006 0.000 0.874 290 T HN 0.340 nan 8.240 nan 0.000 0.466 291 E N 1.815 122.026 120.200 0.018 0.000 2.608 291 E HA 0.030 4.379 4.350 -0.000 0.000 0.259 291 E C -0.809 175.809 176.600 0.030 0.000 0.951 291 E CA -0.205 56.208 56.400 0.021 0.000 0.945 291 E CB 0.408 30.122 29.700 0.023 0.000 0.916 291 E HN 0.060 nan 8.360 nan 0.000 0.477 292 V N 6.477 126.407 119.914 0.028 0.000 2.509 292 V HA 0.236 4.355 4.120 -0.000 0.000 0.284 292 V C 0.402 176.527 176.094 0.053 0.000 1.047 292 V CA -0.187 62.136 62.300 0.040 0.000 0.952 292 V CB 0.887 32.724 31.823 0.023 0.000 0.988 292 V HN 0.629 nan 8.190 nan 0.000 0.469 293 I N 2.806 123.425 120.570 0.082 0.000 2.901 293 I HA 0.456 4.626 4.170 -0.000 0.000 0.289 293 I C -2.272 173.908 176.117 0.106 0.000 1.553 293 I CA -1.498 59.847 61.300 0.076 0.000 0.829 293 I CB 1.088 39.123 38.000 0.058 0.000 1.840 293 I HN 0.419 nan 8.210 nan 0.000 0.606 294 P HA 0.053 nan 4.420 nan 0.000 0.273 294 P C -0.415 176.933 177.300 0.079 0.000 1.237 294 P CA 0.226 63.420 63.100 0.157 0.000 0.813 294 P CB 0.747 32.524 31.700 0.127 0.000 0.930 295 L N -0.829 120.423 121.223 0.049 0.000 2.365 295 L HA 0.551 4.891 4.340 -0.000 0.000 0.267 295 L C 1.335 178.196 176.870 -0.015 0.000 1.033 295 L CA -0.765 54.062 54.840 -0.021 0.000 0.802 295 L CB 0.287 42.281 42.059 -0.110 0.000 1.267 295 L HN 0.421 nan 8.230 nan 0.000 0.457 296 T N -3.852 110.682 114.554 -0.032 0.000 2.849 296 T HA 0.235 4.584 4.350 -0.000 0.000 0.284 296 T C 0.708 175.388 174.700 -0.034 0.000 1.004 296 T CA -0.507 61.577 62.100 -0.025 0.000 1.021 296 T CB 0.833 69.684 68.868 -0.028 0.000 1.013 296 T HN 0.675 nan 8.240 nan 0.000 0.527 297 E N 0.336 120.520 120.200 -0.025 0.000 2.268 297 E HA -0.119 4.230 4.350 -0.000 0.000 0.195 297 E C 1.850 178.426 176.600 -0.038 0.000 0.995 297 E CA 1.059 57.443 56.400 -0.027 0.000 0.836 297 E CB 0.045 29.734 29.700 -0.018 0.000 0.763 297 E HN 0.749 nan 8.360 nan 0.000 0.491 298 E N 0.909 121.084 120.200 -0.042 0.000 2.028 298 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 298 E C 1.972 178.533 176.600 -0.066 0.000 0.984 298 E CA 1.163 57.535 56.400 -0.048 0.000 0.800 298 E CB -0.186 29.488 29.700 -0.043 0.000 0.758 298 E HN 0.217 nan 8.360 nan 0.000 0.448 299 A N 0.883 123.657 122.820 -0.077 0.000 1.969 299 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 299 A C 2.069 179.572 177.584 -0.134 0.000 1.169 299 A CA 1.556 53.529 52.037 -0.107 0.000 0.635 299 A CB -0.376 18.556 19.000 -0.113 0.000 0.810 299 A HN 0.176 nan 8.150 nan 0.000 0.445 300 E N -0.815 119.319 120.200 -0.109 0.000 2.347 300 E HA -0.071 4.279 4.350 -0.000 0.000 0.196 300 E C 1.545 178.095 176.600 -0.083 0.000 1.008 300 E CA 0.632 56.968 56.400 -0.106 0.000 0.852 300 E CB -0.127 29.539 29.700 -0.058 0.000 0.783 300 E HN 0.427 nan 8.360 nan 0.000 0.505 301 L N 0.166 121.345 121.223 -0.074 0.000 2.354 301 L HA 0.180 4.520 4.340 -0.000 0.000 0.212 301 L C 1.901 178.726 176.870 -0.075 0.000 1.091 301 L CA 1.302 56.106 54.840 -0.061 0.000 0.828 301 L CB -0.171 41.859 42.059 -0.048 0.000 0.973 301 L HN 0.118 nan 8.230 nan 0.000 0.461 302 E N -0.547 119.596 120.200 -0.094 0.000 2.047 302 E HA -0.247 4.102 4.350 -0.000 0.000 0.191 302 E C 2.134 178.661 176.600 -0.122 0.000 0.987 302 E CA 1.375 57.712 56.400 -0.105 0.000 0.799 302 E CB -0.185 29.446 29.700 -0.114 0.000 0.752 302 E HN 0.401 nan 8.360 nan 0.000 0.449 303 L N 0.534 121.666 121.223 -0.152 0.000 2.129 303 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 303 L C 1.900 178.706 176.870 -0.107 0.000 1.087 303 L CA 2.359 57.097 54.840 -0.170 0.000 0.757 303 L CB -0.396 41.521 42.059 -0.236 0.000 0.896 303 L HN 0.108 nan 8.230 nan 0.000 0.434 304 A N -1.714 121.057 122.820 -0.082 0.000 2.220 304 A HA 0.054 4.374 4.320 -0.000 0.000 0.211 304 A C 2.178 179.725 177.584 -0.063 0.000 1.176 304 A CA 0.592 52.595 52.037 -0.056 0.000 0.834 304 A CB -0.354 18.624 19.000 -0.037 0.000 0.868 304 A HN 0.593 nan 8.150 nan 0.000 0.488 305 E N 0.325 120.479 120.200 -0.077 0.000 2.035 305 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 305 E C 1.165 177.704 176.600 -0.101 0.000 0.966 305 E CA 0.384 56.737 56.400 -0.078 0.000 0.823 305 E CB -0.189 29.466 29.700 -0.074 0.000 0.791 305 E HN 0.438 nan 8.360 nan 0.000 0.459 306 N N 1.257 119.888 118.700 -0.115 0.000 2.334 306 N HA -0.195 4.545 4.740 -0.000 0.000 0.187 306 N C 1.842 177.256 175.510 -0.160 0.000 1.016 306 N CA 0.769 53.732 53.050 -0.144 0.000 0.879 306 N CB -0.359 38.044 38.487 -0.140 0.000 0.965 306 N HN 0.198 nan 8.380 nan 0.000 0.438 307 R N 0.916 121.342 120.500 -0.123 0.000 2.189 307 R HA -0.022 4.318 4.340 -0.000 0.000 0.218 307 R C 1.325 177.563 176.300 -0.103 0.000 1.074 307 R CA 0.801 56.840 56.100 -0.102 0.000 0.991 307 R CB 0.261 30.520 30.300 -0.068 0.000 0.883 307 R HN 0.076 nan 8.270 nan 0.000 0.457 308 E N 0.601 120.737 120.200 -0.107 0.000 2.122 308 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 308 E C 1.783 178.301 176.600 -0.136 0.000 0.977 308 E CA 0.760 57.104 56.400 -0.093 0.000 0.820 308 E CB 0.023 29.681 29.700 -0.070 0.000 0.770 308 E HN 0.429 nan 8.360 nan 0.000 0.462 309 I N 1.128 121.570 120.570 -0.213 0.000 3.164 309 I HA -0.168 4.002 4.170 -0.000 0.000 0.278 309 I C 1.028 176.824 176.117 -0.535 0.000 1.320 309 I CA 0.635 61.713 61.300 -0.371 0.000 1.422 309 I CB -0.207 37.496 38.000 -0.494 0.000 1.066 309 I HN -0.097 nan 8.210 nan 0.000 0.503 310 L N 0.998 122.039 121.223 -0.304 0.000 3.096 310 L HA 0.282 4.622 4.340 -0.000 0.000 0.247 310 L C 0.823 177.653 176.870 -0.066 0.000 1.321 310 L CA 0.181 54.906 54.840 -0.192 0.000 1.044 310 L CB -0.198 41.773 42.059 -0.148 0.000 1.434 310 L HN 0.144 nan 8.230 nan 0.000 0.533 311 K N -0.469 119.902 120.400 -0.048 0.000 2.504 311 K HA 0.055 4.374 4.320 -0.000 0.000 0.189 311 K C 0.076 176.680 176.600 0.007 0.000 1.803 311 K CA -0.140 56.141 56.287 -0.009 0.000 1.040 311 K CB 1.110 33.600 32.500 -0.018 0.000 1.587 311 K HN -0.020 nan 8.250 nan 0.000 0.584 312 E N 3.965 124.166 120.200 0.003 0.000 2.014 312 E HA 0.137 4.487 4.350 -0.000 0.000 0.275 312 E C -2.489 174.176 176.600 0.108 0.000 0.997 312 E CA -2.787 53.634 56.400 0.035 0.000 0.804 312 E CB 0.611 30.326 29.700 0.025 0.000 1.090 312 E HN -0.066 nan 8.360 nan 0.000 0.401 313 P HA -0.122 nan 4.420 nan 0.000 0.261 313 P C 0.329 177.572 177.300 -0.095 0.000 1.173 313 P CA -0.047 63.052 63.100 -0.002 0.000 0.760 313 P CB 0.823 32.487 31.700 -0.059 0.000 0.783 314 V N 4.614 124.485 119.914 -0.071 0.000 3.388 314 V HA -0.141 3.979 4.120 -0.000 0.000 0.301 314 V C 0.071 176.045 176.094 -0.201 0.000 1.160 314 V CA 0.672 62.852 62.300 -0.200 0.000 1.277 314 V CB -0.464 31.192 31.823 -0.278 0.000 1.018 314 V HN 0.636 nan 8.190 nan 0.000 0.504 315 H N 2.660 121.717 119.070 -0.021 0.000 2.953 315 H HA 0.573 5.129 4.556 -0.000 0.000 0.290 315 H C 0.444 175.780 175.328 0.013 0.000 1.113 315 H CA 0.187 56.246 56.048 0.017 0.000 1.454 315 H CB 1.153 30.932 29.762 0.028 0.000 1.525 315 H HN 0.926 nan 8.280 nan 0.000 0.505 316 G N 2.318 111.223 108.800 0.175 0.000 4.553 316 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.222 316 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.222 316 G C -0.629 174.421 174.900 0.250 0.000 0.795 316 G CA 0.021 45.209 45.100 0.147 0.000 1.181 316 G HN 0.516 nan 8.290 nan 0.000 0.766 317 V N -0.156 119.913 119.914 0.258 0.000 2.350 317 V HA 0.856 4.976 4.120 -0.000 0.000 0.276 317 V C -0.632 175.701 176.094 0.400 0.000 1.028 317 V CA -1.373 61.116 62.300 0.315 0.000 0.860 317 V CB 0.084 32.031 31.823 0.207 0.000 0.990 317 V HN 0.801 nan 8.190 nan 0.000 0.453 318 Y N 4.075 124.454 120.300 0.132 0.000 2.322 318 Y HA 0.560 5.110 4.550 -0.001 0.000 0.324 318 Y C -0.928 175.076 175.900 0.173 0.000 1.027 318 Y CA -2.904 55.273 58.100 0.127 0.000 1.179 318 Y CB 0.533 39.033 38.460 0.067 0.000 1.136 318 Y HN 0.728 nan 8.280 nan 0.000 0.449 319 Y N 4.044 124.377 120.300 0.056 0.000 2.683 319 Y HA 0.225 4.775 4.550 -0.000 0.000 0.355 319 Y C -0.220 175.633 175.900 -0.078 0.000 1.199 319 Y CA -0.677 57.437 58.100 0.024 0.000 1.654 319 Y CB -0.231 38.389 38.460 0.265 0.000 1.361 319 Y HN 0.791 nan 8.280 nan 0.000 0.493 320 D N 8.124 128.234 120.400 -0.485 0.000 2.374 320 D HA 0.222 4.862 4.640 -0.000 0.000 0.240 320 D C -2.095 173.824 176.300 -0.634 0.000 1.229 320 D CA -2.392 51.307 54.000 -0.502 0.000 0.895 320 D CB 1.419 41.999 40.800 -0.365 0.000 1.046 320 D HN 0.308 nan 8.370 nan 0.000 0.498 321 P HA -0.111 nan 4.420 nan 0.000 0.226 321 P C 1.147 178.304 177.300 -0.239 0.000 1.146 321 P CA 0.521 63.280 63.100 -0.568 0.000 0.773 321 P CB 0.235 31.661 31.700 -0.457 0.000 0.772 322 S N -1.828 113.741 115.700 -0.218 0.000 2.507 322 S HA -0.066 4.403 4.470 -0.000 0.000 0.235 322 S C 0.958 175.497 174.600 -0.102 0.000 0.988 322 S CA 0.882 59.005 58.200 -0.129 0.000 0.944 322 S CB -0.359 62.779 63.200 -0.102 0.000 0.762 322 S HN -0.052 nan 8.310 nan 0.000 0.526 323 K N 0.978 121.307 120.400 -0.118 0.000 2.395 323 K HA 0.411 4.731 4.320 -0.000 0.000 0.245 323 K C -1.716 174.835 176.600 -0.081 0.000 1.017 323 K CA -0.981 55.252 56.287 -0.090 0.000 0.852 323 K CB 1.199 33.640 32.500 -0.098 0.000 1.311 323 K HN -0.092 nan 8.250 nan 0.000 0.452 324 D N 1.836 122.188 120.400 -0.081 0.000 2.256 324 D HA 0.196 4.835 4.640 -0.000 0.000 0.250 324 D C -0.164 176.020 176.300 -0.194 0.000 1.093 324 D CA -0.227 53.716 54.000 -0.094 0.000 0.882 324 D CB 0.840 41.603 40.800 -0.062 0.000 1.185 324 D HN 0.365 nan 8.370 nan 0.000 0.437 325 L N 2.978 124.046 121.223 -0.259 0.000 2.530 325 L HA 0.156 4.496 4.340 -0.000 0.000 0.273 325 L C 0.756 177.338 176.870 -0.481 0.000 1.141 325 L CA 0.052 54.622 54.840 -0.449 0.000 0.905 325 L CB -0.068 41.633 42.059 -0.597 0.000 1.202 325 L HN 0.167 nan 8.230 nan 0.000 0.473 326 I N 2.597 122.796 120.570 -0.618 0.000 3.223 326 I HA 0.706 4.876 4.170 -0.000 0.000 0.317 326 I C 0.381 176.005 176.117 -0.821 0.000 1.050 326 I CA -0.565 60.336 61.300 -0.666 0.000 1.069 326 I CB 1.467 39.024 38.000 -0.739 0.000 1.406 326 I HN 0.643 nan 8.210 nan 0.000 0.596 327 A N 1.836 124.256 122.820 -0.668 0.000 2.566 327 A HA 0.624 4.944 4.320 -0.000 0.000 0.297 327 A C -1.253 176.175 177.584 -0.259 0.000 1.059 327 A CA -0.614 51.086 52.037 -0.561 0.000 0.691 327 A CB 1.586 20.044 19.000 -0.905 0.000 1.282 327 A HN 0.698 nan 8.150 nan 0.000 0.401 328 E N 0.475 120.622 120.200 -0.087 0.000 2.277 328 E HA 0.725 5.075 4.350 -0.000 0.000 0.266 328 E C -1.475 175.095 176.600 -0.049 0.000 0.901 328 E CA -0.630 55.756 56.400 -0.023 0.000 0.782 328 E CB 2.874 32.591 29.700 0.028 0.000 1.228 328 E HN 0.561 nan 8.360 nan 0.000 0.424 329 I N 1.456 122.017 120.570 -0.015 0.000 2.722 329 I HA 0.202 4.372 4.170 -0.000 0.000 0.295 329 I C -1.636 174.516 176.117 0.057 0.000 1.161 329 I CA -0.576 60.761 61.300 0.063 0.000 1.032 329 I CB 2.128 40.227 38.000 0.165 0.000 1.244 329 I HN 0.443 nan 8.210 nan 0.000 0.421 330 Q N 5.100 124.944 119.800 0.074 0.000 2.375 330 Q HA 0.415 4.754 4.340 -0.000 0.000 0.271 330 Q C -1.155 174.797 176.000 -0.080 0.000 1.074 330 Q CA -0.732 55.055 55.803 -0.027 0.000 0.808 330 Q CB 2.273 30.919 28.738 -0.152 0.000 1.327 330 Q HN 0.311 nan 8.270 nan 0.000 0.441 331 K N 2.443 122.653 120.400 -0.316 0.000 2.292 331 K HA 0.217 4.537 4.320 -0.000 0.000 0.270 331 K C -0.226 176.056 176.600 -0.530 0.000 1.062 331 K CA -0.166 55.612 56.287 -0.849 0.000 0.916 331 K CB 0.636 32.672 32.500 -0.774 0.000 1.166 331 K HN 0.558 nan 8.250 nan 0.000 0.458 332 Q N 2.083 121.576 119.800 -0.513 0.000 2.178 332 Q HA 0.275 4.614 4.340 -0.000 0.000 0.197 332 Q C 0.461 176.311 176.000 -0.250 0.000 0.998 332 Q CA 0.542 56.174 55.803 -0.284 0.000 0.845 332 Q CB 0.347 28.983 28.738 -0.170 0.000 0.943 332 Q HN 0.760 nan 8.270 nan 0.000 0.514 333 G N 0.115 108.776 108.800 -0.231 0.000 2.750 333 G HA2 0.320 4.280 3.960 -0.000 0.000 0.298 333 G HA3 0.320 4.280 3.960 -0.000 0.000 0.298 333 G C -1.206 173.620 174.900 -0.123 0.000 1.412 333 G CA -0.378 44.627 45.100 -0.159 0.000 1.078 333 G HN 0.254 nan 8.290 nan 0.000 0.573 334 Q N 0.468 120.213 119.800 -0.092 0.000 2.447 334 Q HA -0.083 4.256 4.340 -0.000 0.000 0.348 334 Q C 1.176 177.157 176.000 -0.032 0.000 1.421 334 Q CA 1.633 57.411 55.803 -0.043 0.000 0.978 334 Q CB -1.234 27.488 28.738 -0.026 0.000 1.191 334 Q HN 2.824 nan 8.270 nan 0.000 0.371 335 G N 0.655 109.443 108.800 -0.019 0.000 2.182 335 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 335 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 335 G C -0.371 174.542 174.900 0.022 0.000 1.042 335 G CA 0.309 45.456 45.100 0.077 0.000 0.775 335 G HN 0.492 nan 8.290 nan 0.000 0.501 336 Q N -0.518 119.163 119.800 -0.198 0.000 2.398 336 Q HA 0.612 4.951 4.340 -0.000 0.000 0.251 336 Q C -0.664 175.127 176.000 -0.349 0.000 0.999 336 Q CA -0.398 55.308 55.803 -0.162 0.000 0.874 336 Q CB 0.419 29.075 28.738 -0.136 0.000 1.215 336 Q HN 0.415 nan 8.270 nan 0.000 0.470 337 W N 1.543 122.890 121.300 0.078 0.000 2.736 337 W HA 0.602 5.262 4.660 -0.001 0.000 0.335 337 W C -0.256 176.366 176.519 0.173 0.000 1.059 337 W CA -0.745 56.679 57.345 0.132 0.000 1.226 337 W CB 1.830 31.414 29.460 0.206 0.000 1.416 337 W HN 0.462 nan 8.180 nan 0.000 0.505 338 T N -0.994 113.760 114.554 0.335 0.000 2.887 338 T HA 0.591 4.940 4.350 -0.000 0.000 0.288 338 T C -1.296 173.596 174.700 0.320 0.000 1.021 338 T CA -0.764 61.480 62.100 0.241 0.000 1.000 338 T CB 1.379 70.288 68.868 0.068 0.000 1.034 338 T HN 0.174 nan 8.240 nan 0.000 0.467 339 Y N 0.816 121.129 120.300 0.022 0.000 2.361 339 Y HA 0.620 5.169 4.550 -0.000 0.000 0.332 339 Y C 0.324 176.198 175.900 -0.045 0.000 1.101 339 Y CA -1.533 56.558 58.100 -0.015 0.000 1.137 339 Y CB 1.812 40.270 38.460 -0.004 0.000 1.207 339 Y HN 0.721 nan 8.280 nan 0.000 0.463 340 Q N 2.917 122.785 119.800 0.112 0.000 3.255 340 Q HA 0.455 4.795 4.340 -0.000 0.000 0.231 340 Q C -1.410 174.665 176.000 0.125 0.000 0.935 340 Q CA 0.050 55.923 55.803 0.117 0.000 0.714 340 Q CB 0.925 29.671 28.738 0.014 0.000 1.345 340 Q HN 0.566 nan 8.270 nan 0.000 0.463 341 I N 3.334 123.942 120.570 0.063 0.000 2.315 341 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 341 I C -0.610 175.480 176.117 -0.045 0.000 1.006 341 I CA -0.923 60.279 61.300 -0.163 0.000 1.265 341 I CB 0.184 38.039 38.000 -0.242 0.000 1.387 341 I HN 0.419 nan 8.210 nan 0.000 0.475 342 Y N 2.990 123.142 120.300 -0.248 0.000 2.609 342 Y HA 0.439 4.989 4.550 -0.001 0.000 0.336 342 Y C -0.188 175.581 175.900 -0.219 0.000 1.129 342 Y CA -0.990 57.001 58.100 -0.182 0.000 1.040 342 Y CB 1.156 39.558 38.460 -0.097 0.000 1.310 342 Y HN 0.415 nan 8.280 nan 0.000 0.460 343 Q N 0.045 119.802 119.800 -0.072 0.000 2.402 343 Q HA 0.239 4.579 4.340 -0.000 0.000 0.231 343 Q C -0.480 175.546 176.000 0.042 0.000 0.888 343 Q CA 0.360 56.069 55.803 -0.156 0.000 0.938 343 Q CB 0.910 29.532 28.738 -0.194 0.000 1.086 343 Q HN 0.571 nan 8.270 nan 0.000 0.543 344 E N 0.501 120.830 120.200 0.215 0.000 2.312 344 E HA 0.357 4.707 4.350 -0.000 0.000 0.267 344 E C -2.664 174.055 176.600 0.198 0.000 0.894 344 E CA -2.533 53.998 56.400 0.219 0.000 0.773 344 E CB 1.687 31.484 29.700 0.163 0.000 1.241 344 E HN -0.196 nan 8.360 nan 0.000 0.432 345 P HA 0.023 nan 4.420 nan 0.000 0.258 345 P C -0.387 176.888 177.300 -0.041 0.000 1.187 345 P CA 0.542 63.515 63.100 -0.212 0.000 0.767 345 P CB -0.096 31.573 31.700 -0.052 0.000 0.770 346 F N 0.970 120.820 119.950 -0.167 0.000 2.571 346 F HA -0.255 4.272 4.527 -0.001 0.000 0.515 346 F C 0.990 176.766 175.800 -0.040 0.000 0.532 346 F CA 1.033 58.993 58.000 -0.066 0.000 1.158 346 F CB -1.473 37.503 39.000 -0.039 0.000 1.848 346 F HN 0.318 nan 8.300 nan 0.000 0.266 347 K N 2.098 122.587 120.400 0.147 0.000 2.751 347 K HA 0.207 4.527 4.320 -0.000 0.000 0.252 347 K C -0.308 176.382 176.600 0.151 0.000 1.277 347 K CA -0.104 56.276 56.287 0.154 0.000 1.226 347 K CB -0.620 31.998 32.500 0.197 0.000 1.658 347 K HN 0.220 nan 8.250 nan 0.000 0.303 348 N N 1.837 120.612 118.700 0.125 0.000 2.416 348 N HA 0.014 4.754 4.740 -0.000 0.000 0.271 348 N C 1.303 176.910 175.510 0.161 0.000 1.245 348 N CA 0.048 53.195 53.050 0.161 0.000 0.940 348 N CB 0.401 38.980 38.487 0.154 0.000 1.175 348 N HN 0.226 nan 8.380 nan 0.000 0.483 349 L N 1.081 122.413 121.223 0.181 0.000 2.201 349 L HA 0.020 4.360 4.340 -0.000 0.000 0.212 349 L C 0.830 177.872 176.870 0.287 0.000 1.105 349 L CA 0.838 55.826 54.840 0.246 0.000 0.775 349 L CB -0.319 41.932 42.059 0.319 0.000 0.913 349 L HN 0.495 nan 8.230 nan 0.000 0.440 350 K N 0.065 120.618 120.400 0.256 0.000 2.583 350 K HA 0.311 4.631 4.320 -0.000 0.000 0.260 350 K C -0.898 175.828 176.600 0.209 0.000 0.931 350 K CA -0.364 56.069 56.287 0.243 0.000 0.849 350 K CB 1.760 34.489 32.500 0.382 0.000 1.347 350 K HN -0.003 nan 8.250 nan 0.000 0.425 351 T N -0.268 114.377 114.554 0.150 0.000 2.864 351 T HA 0.968 5.317 4.350 -0.000 0.000 0.289 351 T C 0.056 174.723 174.700 -0.055 0.000 1.082 351 T CA -0.181 62.008 62.100 0.149 0.000 1.009 351 T CB 1.921 70.903 68.868 0.189 0.000 1.234 351 T HN 0.954 nan 8.240 nan 0.000 0.526 352 G N 0.169 108.842 108.800 -0.212 0.000 2.348 352 G HA2 0.588 4.547 3.960 -0.000 0.000 0.296 352 G HA3 0.588 4.547 3.960 -0.000 0.000 0.296 352 G C -1.964 172.527 174.900 -0.682 0.000 1.258 352 G CA -0.459 44.236 45.100 -0.675 0.000 0.868 352 G HN 1.080 nan 8.290 nan 0.000 0.488 353 K N -2.124 117.819 120.400 -0.762 0.000 2.499 353 K HA 0.778 5.098 4.320 -0.000 0.000 0.277 353 K C -2.166 174.557 176.600 0.205 0.000 1.025 353 K CA -1.106 55.079 56.287 -0.171 0.000 0.900 353 K CB 2.573 35.106 32.500 0.055 0.000 1.494 353 K HN 0.984 nan 8.250 nan 0.000 0.442 354 Y N 0.253 120.737 120.300 0.306 0.000 2.358 354 Y HA 0.622 5.171 4.550 -0.000 0.000 0.324 354 Y C -1.989 174.126 175.900 0.358 0.000 1.123 354 Y CA -0.571 57.772 58.100 0.404 0.000 1.067 354 Y CB 1.916 40.639 38.460 0.438 0.000 1.230 354 Y HN 0.986 nan 8.280 nan 0.000 0.429 355 A N 6.094 128.819 122.820 -0.158 0.000 2.354 355 A HA 0.777 5.096 4.320 -0.000 0.000 0.321 355 A C -0.907 176.400 177.584 -0.462 0.000 1.125 355 A CA -1.164 50.745 52.037 -0.214 0.000 0.799 355 A CB 1.341 20.324 19.000 -0.029 0.000 1.293 355 A HN 0.836 nan 8.150 nan 0.000 0.452 356 R N 1.500 121.846 120.500 -0.256 0.000 2.537 356 R HA 0.331 4.670 4.340 -0.000 0.000 0.280 356 R C 0.480 176.718 176.300 -0.104 0.000 1.058 356 R CA -0.130 55.860 56.100 -0.184 0.000 1.057 356 R CB 0.219 30.487 30.300 -0.053 0.000 0.973 356 R HN 0.833 nan 8.270 nan 0.000 0.438 357 M N 2.479 122.042 119.600 -0.062 0.000 2.159 357 M HA 0.235 4.715 4.480 -0.000 0.000 0.293 357 M C 0.547 176.831 176.300 -0.027 0.000 1.186 357 M CA -0.111 55.170 55.300 -0.031 0.000 1.073 357 M CB 0.433 33.030 32.600 -0.004 0.000 1.419 357 M HN 0.506 nan 8.290 nan 0.000 0.490 358 R N 0.534 121.018 120.500 -0.028 0.000 4.160 358 R HA 0.219 4.559 4.340 -0.000 0.000 0.216 358 R C -0.100 176.185 176.300 -0.025 0.000 2.009 358 R CA 0.084 56.165 56.100 -0.031 0.000 1.664 358 R CB -0.972 29.309 30.300 -0.031 0.000 1.216 358 R HN 0.851 nan 8.270 nan 0.000 0.648 359 G N -0.927 107.864 108.800 -0.016 0.000 2.932 359 G HA2 0.575 4.535 3.960 -0.000 0.000 0.283 359 G HA3 0.575 4.535 3.960 -0.000 0.000 0.283 359 G C -0.970 173.934 174.900 0.007 0.000 1.336 359 G CA -0.560 44.538 45.100 -0.004 0.000 1.056 359 G HN 0.370 nan 8.290 nan 0.000 0.522 360 A N -0.285 122.554 122.820 0.031 0.000 2.561 360 A HA 0.365 4.684 4.320 -0.000 0.000 0.234 360 A C 0.564 178.241 177.584 0.154 0.000 1.055 360 A CA 0.035 52.127 52.037 0.092 0.000 0.756 360 A CB -0.711 18.348 19.000 0.099 0.000 0.986 360 A HN 0.935 nan 8.150 nan 0.000 0.505 361 H N 0.632 119.689 119.070 -0.022 0.000 2.767 361 H HA 0.461 5.017 4.556 -0.000 0.000 0.316 361 H C 0.600 175.906 175.328 -0.037 0.000 1.059 361 H CA -0.385 55.647 56.048 -0.027 0.000 1.461 361 H CB 0.252 30.000 29.762 -0.023 0.000 1.475 361 H HN 0.687 nan 8.280 nan 0.000 0.531 362 T N 0.955 115.517 114.554 0.013 0.000 2.888 362 T HA 0.160 4.510 4.350 -0.000 0.000 0.283 362 T C 0.480 175.109 174.700 -0.120 0.000 1.013 362 T CA -1.046 60.996 62.100 -0.096 0.000 0.938 362 T CB 1.147 69.951 68.868 -0.107 0.000 1.298 362 T HN 0.872 nan 8.240 nan 0.000 0.580 363 N N -0.295 118.300 118.700 -0.175 0.000 2.604 363 N HA 0.148 4.888 4.740 -0.000 0.000 0.297 363 N C 0.000 175.479 175.510 -0.052 0.000 1.266 363 N CA -0.589 52.380 53.050 -0.135 0.000 0.961 363 N CB 0.923 39.286 38.487 -0.206 0.000 1.166 363 N HN 0.588 nan 8.380 nan 0.000 0.601 364 D N 0.224 120.634 120.400 0.017 0.000 2.120 364 D HA -0.164 4.475 4.640 -0.000 0.000 0.191 364 D C 1.910 178.265 176.300 0.093 0.000 0.994 364 D CA 2.278 56.386 54.000 0.180 0.000 0.838 364 D CB -0.479 40.423 40.800 0.170 0.000 0.976 364 D HN 0.497 nan 8.370 nan 0.000 0.447 365 V N 0.203 120.137 119.914 0.032 0.000 2.343 365 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 365 V C 2.413 178.513 176.094 0.009 0.000 1.051 365 V CA 2.103 64.462 62.300 0.099 0.000 1.036 365 V CB -0.842 31.099 31.823 0.197 0.000 0.654 365 V HN 0.074 nan 8.190 nan 0.000 0.451 366 K N 0.089 120.315 120.400 -0.290 0.000 2.074 366 K HA -0.276 4.044 4.320 -0.000 0.000 0.209 366 K C 2.317 178.808 176.600 -0.181 0.000 1.048 366 K CA 2.351 58.314 56.287 -0.540 0.000 0.926 366 K CB -0.227 31.719 32.500 -0.923 0.000 0.713 366 K HN 0.745 nan 8.250 nan 0.000 0.444 367 Q N 0.558 120.261 119.800 -0.161 0.000 1.994 367 Q HA -0.120 4.219 4.340 -0.000 0.000 0.198 367 Q C 2.283 178.076 176.000 -0.345 0.000 0.976 367 Q CA 1.283 56.987 55.803 -0.164 0.000 0.828 367 Q CB -0.297 28.364 28.738 -0.128 0.000 0.894 367 Q HN 0.336 nan 8.270 nan 0.000 0.432 368 L N 1.330 122.179 121.223 -0.623 0.000 2.085 368 L HA -0.303 4.036 4.340 -0.000 0.000 0.218 368 L C 2.644 179.406 176.870 -0.179 0.000 1.080 368 L CA 2.122 56.547 54.840 -0.691 0.000 0.776 368 L CB -0.716 41.097 42.059 -0.410 0.000 0.891 368 L HN 0.539 nan 8.230 nan 0.000 0.437 369 T N -3.573 111.054 114.554 0.122 0.000 2.668 369 T HA -0.237 4.113 4.350 -0.000 0.000 0.262 369 T C 1.549 176.246 174.700 -0.005 0.000 1.045 369 T CA 1.325 63.589 62.100 0.273 0.000 1.152 369 T CB -0.617 68.474 68.868 0.370 0.000 0.864 369 T HN 0.455 nan 8.240 nan 0.000 0.419 370 E N 2.113 122.296 120.200 -0.028 0.000 2.171 370 E HA -0.022 4.327 4.350 -0.000 0.000 0.197 370 E C 1.785 178.276 176.600 -0.182 0.000 0.997 370 E CA 0.991 57.335 56.400 -0.092 0.000 0.810 370 E CB -0.312 29.412 29.700 0.041 0.000 0.738 370 E HN 0.703 nan 8.360 nan 0.000 0.467 371 A N 0.660 123.415 122.820 -0.109 0.000 2.734 371 A HA 0.254 4.574 4.320 -0.000 0.000 0.279 371 A C 1.035 178.590 177.584 -0.049 0.000 1.386 371 A CA -0.030 51.970 52.037 -0.062 0.000 0.987 371 A CB 0.271 19.290 19.000 0.031 0.000 1.041 371 A HN 0.097 nan 8.150 nan 0.000 0.569 372 V N -1.929 117.928 119.914 -0.095 0.000 3.221 372 V HA -0.034 4.086 4.120 -0.000 0.000 0.254 372 V C 1.949 178.002 176.094 -0.068 0.000 1.586 372 V CA 0.710 62.917 62.300 -0.155 0.000 1.074 372 V CB -0.061 31.494 31.823 -0.447 0.000 0.912 372 V HN 0.610 nan 8.190 nan 0.000 0.426 373 Q N -0.102 119.616 119.800 -0.135 0.000 2.089 373 Q HA -0.014 4.326 4.340 -0.000 0.000 0.195 373 Q C 2.075 178.134 176.000 0.098 0.000 0.963 373 Q CA 0.881 56.648 55.803 -0.061 0.000 0.834 373 Q CB 0.057 28.575 28.738 -0.367 0.000 0.906 373 Q HN 0.319 nan 8.270 nan 0.000 0.452 374 K N 1.307 121.682 120.400 -0.042 0.000 1.985 374 K HA -0.147 4.172 4.320 -0.000 0.000 0.210 374 K C 2.140 178.778 176.600 0.064 0.000 1.047 374 K CA 1.122 57.401 56.287 -0.014 0.000 0.932 374 K CB -0.634 31.771 32.500 -0.158 0.000 0.716 374 K HN 0.310 nan 8.250 nan 0.000 0.439 375 I N 0.655 121.213 120.570 -0.020 0.000 2.335 375 I HA -0.268 3.901 4.170 -0.000 0.000 0.251 375 I C 1.584 177.702 176.117 0.002 0.000 1.129 375 I CA 1.708 62.884 61.300 -0.207 0.000 1.402 375 I CB -0.146 37.506 38.000 -0.580 0.000 1.069 375 I HN 0.013 nan 8.210 nan 0.000 0.424 376 T N 0.478 115.158 114.554 0.210 0.000 2.851 376 T HA -0.081 4.269 4.350 -0.000 0.000 0.262 376 T C 1.756 176.445 174.700 -0.017 0.000 1.043 376 T CA 1.796 63.991 62.100 0.158 0.000 1.140 376 T CB -0.316 68.736 68.868 0.306 0.000 0.872 376 T HN 0.454 nan 8.240 nan 0.000 0.446 377 T N 2.576 117.201 114.554 0.118 0.000 2.652 377 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 377 T C 1.899 176.584 174.700 -0.025 0.000 1.039 377 T CA 1.412 63.559 62.100 0.078 0.000 1.153 377 T CB -0.329 68.629 68.868 0.150 0.000 0.863 377 T HN 0.561 nan 8.240 nan 0.000 0.428 378 E N 1.081 121.299 120.200 0.030 0.000 2.012 378 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 378 E C 2.460 179.088 176.600 0.046 0.000 1.007 378 E CA 1.338 57.761 56.400 0.038 0.000 0.816 378 E CB -0.483 29.299 29.700 0.136 0.000 0.762 378 E HN 0.336 nan 8.360 nan 0.000 0.451 379 S N 0.538 116.298 115.700 0.099 0.000 2.414 379 S HA -0.262 4.208 4.470 -0.000 0.000 0.241 379 S C 1.938 176.610 174.600 0.120 0.000 1.079 379 S CA 1.491 59.800 58.200 0.182 0.000 1.087 379 S CB -0.365 62.801 63.200 -0.057 0.000 0.927 379 S HN 0.222 nan 8.310 nan 0.000 0.456 380 I N 0.544 121.072 120.570 -0.069 0.000 2.193 380 I HA -0.116 4.054 4.170 -0.000 0.000 0.240 380 I C 2.249 178.371 176.117 0.009 0.000 1.084 380 I CA 1.184 62.416 61.300 -0.114 0.000 1.365 380 I CB -0.456 37.401 38.000 -0.238 0.000 1.064 380 I HN 0.193 nan 8.210 nan 0.000 0.410 381 V N 1.178 121.069 119.914 -0.039 0.000 2.469 381 V HA -0.264 3.856 4.120 -0.000 0.000 0.251 381 V C 2.107 178.091 176.094 -0.184 0.000 1.064 381 V CA 1.729 63.975 62.300 -0.089 0.000 1.066 381 V CB -0.603 31.121 31.823 -0.165 0.000 0.667 381 V HN 0.389 nan 8.190 nan 0.000 0.461 382 I N -2.435 117.993 120.570 -0.237 0.000 3.427 382 I HA -0.013 4.157 4.170 -0.000 0.000 0.288 382 I C 1.703 177.310 176.117 -0.850 0.000 1.249 382 I CA 0.835 61.777 61.300 -0.597 0.000 1.421 382 I CB 0.072 37.584 38.000 -0.814 0.000 1.086 382 I HN 0.410 nan 8.210 nan 0.000 0.448 383 W N 0.075 121.186 121.300 -0.315 0.000 1.857 383 W HA 0.276 4.935 4.660 -0.001 0.000 0.244 383 W C 1.230 177.624 176.519 -0.208 0.000 0.859 383 W CA 0.525 57.587 57.345 -0.472 0.000 1.112 383 W CB 0.402 29.451 29.460 -0.684 0.000 0.967 383 W HN 0.178 nan 8.180 nan 0.000 0.524 384 G N 2.849 111.683 108.800 0.058 0.000 2.147 384 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 384 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 384 G C 0.130 175.120 174.900 0.149 0.000 1.005 384 G CA 1.135 46.328 45.100 0.154 0.000 0.713 384 G HN 0.313 nan 8.290 nan 0.000 0.515 385 K N -2.172 118.206 120.400 -0.036 0.000 2.614 385 K HA 0.728 5.048 4.320 -0.000 0.000 0.293 385 K C -0.516 175.942 176.600 -0.236 0.000 1.045 385 K CA -0.497 55.716 56.287 -0.124 0.000 0.880 385 K CB 0.535 33.095 32.500 0.100 0.000 1.552 385 K HN 0.639 nan 8.250 nan 0.000 0.404 386 T N -1.513 112.946 114.554 -0.159 0.000 2.918 386 T HA 0.595 4.945 4.350 -0.000 0.000 0.286 386 T C -2.520 172.126 174.700 -0.090 0.000 1.026 386 T CA -1.803 60.218 62.100 -0.131 0.000 1.031 386 T CB 1.646 70.482 68.868 -0.054 0.000 1.046 386 T HN 0.319 nan 8.240 nan 0.000 0.479 387 P HA 0.316 nan 4.420 nan 0.000 0.317 387 P C -0.382 176.872 177.300 -0.076 0.000 1.316 387 P CA -0.471 62.471 63.100 -0.263 0.000 0.744 387 P CB 0.331 31.653 31.700 -0.630 0.000 1.521 388 K N 0.231 120.546 120.400 -0.142 0.000 3.262 388 K HA 0.234 4.553 4.320 -0.000 0.000 0.166 388 K C -1.089 175.527 176.600 0.026 0.000 1.091 388 K CA -0.624 55.664 56.287 0.001 0.000 0.798 388 K CB -0.599 31.853 32.500 -0.080 0.000 0.953 388 K HN 0.179 nan 8.250 nan 0.000 0.588 389 F N 2.303 122.211 119.950 -0.071 0.000 2.579 389 F HA -0.085 4.442 4.527 -0.001 0.000 0.397 389 F C 1.340 177.068 175.800 -0.119 0.000 1.027 389 F CA 0.827 58.771 58.000 -0.093 0.000 1.217 389 F CB 0.330 39.292 39.000 -0.063 0.000 0.986 389 F HN -0.134 nan 8.300 nan 0.000 0.551 390 K N 6.101 126.522 120.400 0.035 0.000 2.264 390 K HA 0.411 4.731 4.320 -0.000 0.000 0.277 390 K C -0.433 176.154 176.600 -0.022 0.000 1.067 390 K CA -0.336 55.940 56.287 -0.019 0.000 0.900 390 K CB 1.213 33.705 32.500 -0.013 0.000 1.124 390 K HN 0.544 nan 8.250 nan 0.000 0.469 391 L N 4.893 126.063 121.223 -0.088 0.000 2.343 391 L HA 0.307 4.647 4.340 -0.000 0.000 0.275 391 L C -1.292 175.582 176.870 0.006 0.000 1.056 391 L CA -1.709 53.066 54.840 -0.108 0.000 0.804 391 L CB 1.307 43.164 42.059 -0.336 0.000 1.203 391 L HN 0.371 nan 8.230 nan 0.000 0.440 392 P HA 0.161 nan 4.420 nan 0.000 0.258 392 P C -0.160 177.185 177.300 0.076 0.000 1.416 392 P CA 0.404 63.544 63.100 0.067 0.000 0.927 392 P CB 0.643 32.420 31.700 0.130 0.000 1.444 393 I N -0.563 120.034 120.570 0.044 0.000 2.910 393 I HA 0.317 4.487 4.170 -0.000 0.000 0.310 393 I C -0.461 175.633 176.117 -0.037 0.000 1.043 393 I CA -1.194 60.131 61.300 0.042 0.000 1.053 393 I CB 2.329 40.377 38.000 0.080 0.000 1.242 393 I HN -0.308 nan 8.210 nan 0.000 0.452 394 Q N 4.503 124.274 119.800 -0.048 0.000 2.279 394 Q HA 0.110 4.450 4.340 -0.000 0.000 0.256 394 Q C 0.536 176.341 176.000 -0.326 0.000 0.937 394 Q CA -0.001 55.724 55.803 -0.131 0.000 0.933 394 Q CB 1.626 30.341 28.738 -0.039 0.000 1.189 394 Q HN 0.599 nan 8.270 nan 0.000 0.417 395 K N 3.064 123.064 120.400 -0.666 0.000 2.023 395 K HA -0.295 4.025 4.320 -0.000 0.000 0.227 395 K C 1.169 177.535 176.600 -0.390 0.000 1.054 395 K CA 2.228 57.898 56.287 -1.028 0.000 0.977 395 K CB 0.224 32.374 32.500 -0.584 0.000 0.733 395 K HN 0.532 nan 8.250 nan 0.000 0.451 396 E N -0.073 120.018 120.200 -0.181 0.000 2.147 396 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 396 E C 2.059 178.651 176.600 -0.015 0.000 1.005 396 E CA 2.005 58.358 56.400 -0.079 0.000 0.810 396 E CB -0.841 28.838 29.700 -0.036 0.000 0.736 396 E HN 0.516 nan 8.360 nan 0.000 0.460 397 T N 1.116 115.708 114.554 0.063 0.000 2.701 397 T HA -0.140 4.210 4.350 -0.000 0.000 0.263 397 T C 1.411 176.297 174.700 0.311 0.000 1.040 397 T CA 1.052 63.323 62.100 0.284 0.000 1.147 397 T CB -0.497 68.511 68.868 0.233 0.000 0.865 397 T HN 0.397 nan 8.240 nan 0.000 0.426 398 W N 2.271 123.541 121.300 -0.051 0.000 2.315 398 W HA -0.184 4.475 4.660 -0.001 0.000 0.323 398 W C 1.844 178.430 176.519 0.112 0.000 1.233 398 W CA 1.556 58.873 57.345 -0.047 0.000 1.267 398 W CB -0.242 29.037 29.460 -0.302 0.000 1.160 398 W HN 0.378 nan 8.180 nan 0.000 0.474 399 E N -0.521 119.686 120.200 0.011 0.000 2.396 399 E HA -0.173 4.176 4.350 -0.000 0.000 0.200 399 E C 1.953 178.403 176.600 -0.250 0.000 1.023 399 E CA 1.597 57.995 56.400 -0.004 0.000 0.857 399 E CB -0.103 29.589 29.700 -0.014 0.000 0.775 399 E HN 0.229 nan 8.360 nan 0.000 0.525 400 T N -0.673 113.716 114.554 -0.276 0.000 2.866 400 T HA -0.041 4.309 4.350 -0.000 0.000 0.250 400 T C 1.090 175.327 174.700 -0.771 0.000 1.033 400 T CA 0.559 62.285 62.100 -0.623 0.000 1.145 400 T CB 0.025 68.333 68.868 -0.934 0.000 0.866 400 T HN 0.346 nan 8.240 nan 0.000 0.434 401 W N 0.801 121.939 121.300 -0.269 0.000 2.993 401 W HA 0.187 4.846 4.660 -0.000 0.000 0.290 401 W C 2.102 178.355 176.519 -0.444 0.000 1.203 401 W CA -0.735 56.423 57.345 -0.313 0.000 1.582 401 W CB -0.398 29.023 29.460 -0.065 0.000 1.033 401 W HN 0.410 nan 8.180 nan 0.000 0.594 402 W N 2.251 123.246 121.300 -0.508 0.000 2.290 402 W HA -0.343 4.316 4.660 -0.001 0.000 0.328 402 W C 1.853 178.129 176.519 -0.403 0.000 1.272 402 W CA 2.663 59.574 57.345 -0.723 0.000 1.262 402 W CB -1.754 26.703 29.460 -1.672 0.000 1.151 402 W HN -0.123 nan 8.180 nan 0.000 0.473 403 T N -0.490 113.169 114.554 -1.492 0.000 2.896 403 T HA -0.267 4.082 4.350 -0.000 0.000 0.270 403 T C 1.522 175.899 174.700 -0.539 0.000 1.104 403 T CA 1.961 63.244 62.100 -1.362 0.000 1.115 403 T CB -0.401 67.433 68.868 -1.723 0.000 0.843 403 T HN 0.228 nan 8.240 nan 0.000 0.523 404 E N 0.881 120.747 120.200 -0.556 0.000 2.046 404 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 404 E C 0.823 177.154 176.600 -0.448 0.000 0.982 404 E CA 1.069 57.121 56.400 -0.581 0.000 0.800 404 E CB -0.222 28.890 29.700 -0.979 0.000 0.756 404 E HN 0.807 nan 8.360 nan 0.000 0.449 405 Y N -1.229 119.130 120.300 0.098 0.000 2.683 405 Y HA 0.161 4.710 4.550 -0.000 0.000 0.297 405 Y C 0.530 176.552 175.900 0.204 0.000 1.147 405 Y CA -0.726 57.447 58.100 0.122 0.000 1.274 405 Y CB -0.215 38.299 38.460 0.091 0.000 1.143 405 Y HN 0.032 nan 8.280 nan 0.000 0.527 406 W N 1.342 122.710 121.300 0.113 0.000 2.509 406 W HA 0.411 5.071 4.660 -0.000 0.000 0.351 406 W C -0.496 176.060 176.519 0.061 0.000 1.107 406 W CA -0.508 56.927 57.345 0.150 0.000 1.264 406 W CB 1.828 31.469 29.460 0.302 0.000 1.312 406 W HN 0.172 nan 8.180 nan 0.000 0.608 407 Q N 2.117 121.932 119.800 0.025 0.000 1.921 407 Q HA 0.246 4.586 4.340 -0.000 0.000 0.192 407 Q C -0.010 175.907 176.000 -0.138 0.000 0.755 407 Q CA -0.223 55.588 55.803 0.014 0.000 0.904 407 Q CB 0.977 29.680 28.738 -0.059 0.000 1.222 407 Q HN 0.338 nan 8.270 nan 0.000 0.417 408 A N 0.889 123.451 122.820 -0.430 0.000 2.354 408 A HA 0.447 4.767 4.320 -0.000 0.000 0.269 408 A C 0.867 178.277 177.584 -0.289 0.000 1.109 408 A CA 0.044 51.622 52.037 -0.766 0.000 0.800 408 A CB 0.320 18.240 19.000 -1.799 0.000 1.045 408 A HN 0.242 nan 8.150 nan 0.000 0.489 409 T N -0.154 114.154 114.554 -0.409 0.000 3.330 409 T HA 0.352 4.702 4.350 -0.000 0.000 0.249 409 T C 0.016 174.753 174.700 0.062 0.000 0.980 409 T CA -0.429 61.619 62.100 -0.086 0.000 0.920 409 T CB -0.917 67.937 68.868 -0.022 0.000 1.065 409 T HN 0.702 nan 8.240 nan 0.000 0.588 410 W N -0.489 121.044 121.300 0.390 0.000 3.003 410 W HA 0.718 5.377 4.660 -0.001 0.000 0.362 410 W C -1.749 175.067 176.519 0.494 0.000 1.213 410 W CA -1.912 55.640 57.345 0.345 0.000 1.157 410 W CB 0.771 30.430 29.460 0.331 0.000 1.493 410 W HN -0.103 nan 8.180 nan 0.000 0.589 411 I N 2.755 123.772 120.570 0.746 0.000 2.590 411 I HA 0.153 4.323 4.170 -0.000 0.000 0.283 411 I C -2.219 174.108 176.117 0.350 0.000 1.154 411 I CA -1.856 59.761 61.300 0.528 0.000 1.067 411 I CB 2.311 40.355 38.000 0.074 0.000 1.243 411 I HN -0.098 nan 8.210 nan 0.000 0.451 412 P HA 0.059 nan 4.420 nan 0.000 0.270 412 P C -0.509 176.778 177.300 -0.020 0.000 1.223 412 P CA -0.003 63.271 63.100 0.290 0.000 0.785 412 P CB 1.181 33.151 31.700 0.451 0.000 0.923 413 E N 0.741 120.934 120.200 -0.013 0.000 2.342 413 E HA 0.422 4.772 4.350 -0.000 0.000 0.257 413 E C -1.045 175.508 176.600 -0.079 0.000 1.150 413 E CA -0.545 55.725 56.400 -0.218 0.000 0.926 413 E CB 0.495 30.132 29.700 -0.105 0.000 1.074 413 E HN 0.506 nan 8.360 nan 0.000 0.449 414 W N 0.454 121.698 121.300 -0.094 0.000 3.057 414 W HA 0.410 5.069 4.660 -0.000 0.000 0.328 414 W C -1.853 174.405 176.519 -0.434 0.000 1.232 414 W CA -0.810 56.399 57.345 -0.227 0.000 1.187 414 W CB -0.172 29.087 29.460 -0.336 0.000 1.417 414 W HN 0.669 nan 8.180 nan 0.000 0.569 415 E N 0.328 120.413 120.200 -0.192 0.000 2.449 415 E HA 0.789 5.139 4.350 -0.000 0.000 0.278 415 E C -1.786 174.396 176.600 -0.697 0.000 0.992 415 E CA -1.107 55.011 56.400 -0.471 0.000 0.807 415 E CB 2.537 32.138 29.700 -0.166 0.000 1.350 415 E HN 0.217 nan 8.360 nan 0.000 0.462 416 F N 0.375 120.334 119.950 0.015 0.000 2.495 416 F HA 0.650 5.176 4.527 -0.001 0.000 0.327 416 F C -0.489 175.304 175.800 -0.012 0.000 1.103 416 F CA -1.161 56.811 58.000 -0.046 0.000 0.949 416 F CB 2.141 41.115 39.000 -0.043 0.000 1.142 416 F HN 0.297 nan 8.300 nan 0.000 0.457 417 V N 3.966 123.966 119.914 0.143 0.000 2.686 417 V HA 0.494 4.613 4.120 -0.000 0.000 0.306 417 V C -1.425 174.706 176.094 0.063 0.000 1.065 417 V CA -0.657 61.693 62.300 0.083 0.000 0.894 417 V CB 1.979 33.825 31.823 0.039 0.000 1.004 417 V HN 0.871 nan 8.190 nan 0.000 0.424 418 N N 4.062 122.792 118.700 0.050 0.000 2.501 418 N HA 0.449 5.189 4.740 -0.000 0.000 0.245 418 N C -0.908 174.607 175.510 0.008 0.000 0.974 418 N CA -0.075 52.992 53.050 0.028 0.000 0.941 418 N CB 1.794 40.299 38.487 0.031 0.000 1.122 418 N HN 0.767 nan 8.380 nan 0.000 0.507 419 T N -0.115 114.431 114.554 -0.014 0.000 3.011 419 T HA 0.451 4.800 4.350 -0.000 0.000 0.303 419 T C -2.688 171.975 174.700 -0.062 0.000 0.997 419 T CA -1.143 60.935 62.100 -0.036 0.000 1.007 419 T CB 1.095 69.932 68.868 -0.052 0.000 1.017 419 T HN 0.239 nan 8.240 nan 0.000 0.443 420 P HA 0.277 nan 4.420 nan 0.000 0.269 420 P C -1.894 175.335 177.300 -0.119 0.000 1.211 420 P CA -0.817 62.239 63.100 -0.073 0.000 0.781 420 P CB 0.220 31.889 31.700 -0.053 0.000 0.877 421 P HA 0.238 nan 4.420 nan 0.000 0.341 421 P C 0.196 177.402 177.300 -0.157 0.000 1.349 421 P CA -0.260 62.742 63.100 -0.164 0.000 0.830 421 P CB 0.475 32.096 31.700 -0.132 0.000 1.986 422 L N -3.031 118.114 121.223 -0.130 0.000 4.110 422 L HA -0.174 4.165 4.340 -0.000 0.000 0.404 422 L C 0.947 177.764 176.870 -0.090 0.000 0.763 422 L CA 1.539 56.351 54.840 -0.046 0.000 2.413 422 L CB -2.181 39.874 42.059 -0.005 0.000 1.244 422 L HN 0.154 nan 8.230 nan 0.000 0.614 423 V N -4.405 115.271 119.914 -0.397 0.000 3.444 423 V HA 0.227 4.347 4.120 -0.000 0.000 0.308 423 V C 1.771 177.239 176.094 -1.043 0.000 1.371 423 V CA 0.924 62.552 62.300 -1.121 0.000 1.141 423 V CB -0.041 31.160 31.823 -1.037 0.000 1.037 423 V HN 0.443 nan 8.190 nan 0.000 0.433 424 K N -0.256 119.877 120.400 -0.445 0.000 2.354 424 K HA 0.310 4.630 4.320 -0.000 0.000 0.194 424 K C 1.593 178.194 176.600 0.002 0.000 1.045 424 K CA 0.141 56.334 56.287 -0.156 0.000 1.026 424 K CB 0.137 32.565 32.500 -0.121 0.000 0.866 424 K HN 0.300 nan 8.250 nan 0.000 0.530 425 L N 0.466 121.704 121.223 0.025 0.000 2.129 425 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 425 L C 1.726 178.814 176.870 0.362 0.000 1.087 425 L CA 1.699 56.680 54.840 0.236 0.000 0.757 425 L CB -0.642 41.635 42.059 0.363 0.000 0.896 425 L HN 0.317 nan 8.230 nan 0.000 0.434 426 W N -1.853 119.434 121.300 -0.022 0.000 2.436 426 W HA -0.082 4.577 4.660 -0.001 0.000 0.284 426 W C 2.221 178.515 176.519 -0.375 0.000 1.225 426 W CA 0.179 57.387 57.345 -0.228 0.000 1.271 426 W CB -1.463 27.766 29.460 -0.385 0.000 1.114 426 W HN 0.223 nan 8.180 nan 0.000 0.559 427 Y N -0.375 120.036 120.300 0.184 0.000 2.481 427 Y HA 0.169 4.719 4.550 -0.001 0.000 0.258 427 Y C 1.849 177.793 175.900 0.073 0.000 1.103 427 Y CA -0.221 57.946 58.100 0.112 0.000 1.287 427 Y CB -0.593 37.903 38.460 0.060 0.000 1.108 427 Y HN -0.128 nan 8.280 nan 0.000 0.529 428 Q N 0.000 119.919 119.800 0.199 0.000 2.315 428 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 428 Q CA 0.000 55.872 55.803 0.115 0.000 1.022 428 Q CB 0.000 28.788 28.738 0.083 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481