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 2olv_1_A DATA FIRST_RESID 67 DATA SEQUENCE AKLQDPIPAK IYDKNGELVK TLDNGQRHEH VNLKDVPKSX KDAVLATEDN DATA SEQUENCE RFYEHGALDY KRLFGAIGKX XXXXXXXXGA STLTQQVVKD AFLSQHKSIG DATA SEQUENCE RKAQEAYLSY RLEQEYSKDD IFQVYLNKIY YSDGVTGIKA AAKYYFNKDL DATA SEQUENCE KDLNLAEEAY LAGLPQVPNN YNIYDHPKAA EDRKNTVLYL XHYHKRITDK DATA SEQUENCE QWEDAKKIDL KANLVNRTPE ERQNIDTNQD SEYNSYVNFV KSELXNNKAF DATA SEQUENCE KDENLGNVLQ SGIKIYTNXD KDVQKTLQND VDNGSFYKNK DQQVGATILD DATA SEQUENCE SKTGGLVAIS GGRDFKDVVN RNQATDPHPT GSSLKPFLAY GPAIENXKWA DATA SEQUENCE TNHAIQDESS YQVDGSTFRN YDTKSHGTVS IYDALRQSFN IPALKAWQSV DATA SEQUENCE KQNAGNDAPK KFAAKLGLNY EGDIGPSEVL GGSASEFSPT QLASAFAAIA DATA SEQUENCE NGGTYNNAHS IQKVVTRDGE TIEYDHTSHK AXSDYTAYXL AEXLKGTFKP DATA SEQUENCE YGSAYGHGVS GVNXGAKTGT GTYGAETYSQ YNLPDNAAKD VWINGFTPQY DATA SEQUENCE TXSVWXGFSK VKQYGENSFV GHSQQEYPQF LYENVXSKIS SRDGEDFKRP DATA SEQUENCE SSVSGSIPSI NVSGSQDNNT TNRSTH 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 67 A HA 0.000 nan 4.320 nan 0.000 0.244 67 A C 0.000 177.641 177.584 0.095 0.000 1.274 67 A CA 0.000 52.099 52.037 0.103 0.000 0.836 67 A CB 0.000 19.068 19.000 0.113 0.000 0.831 68 K N 1.496 121.934 120.400 0.063 0.000 2.499 68 K HA 0.530 4.852 4.320 0.003 0.000 0.215 68 K C -0.213 176.396 176.600 0.016 0.000 1.041 68 K CA -0.469 55.845 56.287 0.045 0.000 1.031 68 K CB 0.114 32.635 32.500 0.036 0.000 1.479 68 K HN 0.408 nan 8.250 nan 0.000 0.518 69 L N 1.394 122.610 121.223 -0.013 0.000 2.375 69 L HA 0.048 4.390 4.340 0.003 0.000 0.215 69 L C 0.912 177.763 176.870 -0.032 0.000 1.108 69 L CA 0.346 55.149 54.840 -0.060 0.000 0.830 69 L CB 0.021 41.960 42.059 -0.200 0.000 0.959 69 L HN 0.479 nan 8.230 nan 0.000 0.457 70 Q N 1.656 121.453 119.800 -0.005 0.000 2.308 70 Q HA -0.104 4.238 4.340 0.003 0.000 0.313 70 Q C -0.238 175.741 176.000 -0.035 0.000 1.075 70 Q CA 0.234 56.032 55.803 -0.009 0.000 0.995 70 Q CB 0.208 28.955 28.738 0.015 0.000 1.107 70 Q HN 0.084 nan 8.270 nan 0.000 0.380 71 D N 5.076 125.430 120.400 -0.076 0.000 2.343 71 D HA 0.122 4.764 4.640 0.003 0.000 0.255 71 D C -2.155 174.087 176.300 -0.097 0.000 1.187 71 D CA -1.598 52.357 54.000 -0.075 0.000 0.875 71 D CB 0.718 41.468 40.800 -0.084 0.000 1.136 71 D HN 0.180 nan 8.370 nan 0.000 0.469 72 P HA 0.170 nan 4.420 nan 0.000 0.271 72 P C -0.597 176.712 177.300 0.016 0.000 1.216 72 P CA -0.404 62.692 63.100 -0.006 0.000 0.776 72 P CB 0.839 32.544 31.700 0.008 0.000 0.881 73 I N 5.134 125.711 120.570 0.012 0.000 2.410 73 I HA 0.403 4.575 4.170 0.003 0.000 0.286 73 I C -2.545 173.608 176.117 0.059 0.000 1.009 73 I CA -3.145 58.186 61.300 0.051 0.000 1.111 73 I CB 2.131 40.176 38.000 0.074 0.000 1.262 73 I HN 0.185 nan 8.210 nan 0.000 0.443 74 P HA 0.330 nan 4.420 nan 0.000 0.278 74 P C -1.026 176.290 177.300 0.027 0.000 1.258 74 P CA -0.582 62.541 63.100 0.038 0.000 0.811 74 P CB 1.063 32.785 31.700 0.036 0.000 1.063 75 A N 2.065 124.891 122.820 0.009 0.000 2.477 75 A HA 0.233 4.555 4.320 0.003 0.000 0.246 75 A C 0.168 177.732 177.584 -0.033 0.000 1.078 75 A CA 0.132 52.168 52.037 -0.002 0.000 0.770 75 A CB -0.510 18.479 19.000 -0.018 0.000 1.011 75 A HN 0.426 nan 8.150 nan 0.000 0.494 76 K N 1.713 122.091 120.400 -0.036 0.000 2.206 76 K HA 0.610 4.932 4.320 0.003 0.000 0.264 76 K C -0.934 175.541 176.600 -0.207 0.000 0.967 76 K CA 0.017 56.211 56.287 -0.154 0.000 0.844 76 K CB 1.666 34.093 32.500 -0.123 0.000 1.099 76 K HN 0.657 nan 8.250 nan 0.000 0.441 77 I N 3.520 123.876 120.570 -0.358 0.000 2.460 77 I HA 0.337 4.509 4.170 0.003 0.000 0.298 77 I C -0.905 174.864 176.117 -0.580 0.000 0.989 77 I CA -0.996 60.117 61.300 -0.312 0.000 1.173 77 I CB 0.897 38.778 38.000 -0.198 0.000 1.338 77 I HN 0.457 nan 8.210 nan 0.000 0.456 78 Y N 2.994 123.082 120.300 -0.353 0.000 2.446 78 Y HA 0.299 4.851 4.550 0.003 0.000 0.345 78 Y C 0.211 176.000 175.900 -0.187 0.000 0.984 78 Y CA -1.398 56.538 58.100 -0.273 0.000 1.058 78 Y CB 0.949 39.225 38.460 -0.306 0.000 1.220 78 Y HN 0.555 nan 8.280 nan 0.000 0.455 79 D N 1.342 121.710 120.400 -0.052 0.000 2.414 79 D HA 0.034 4.676 4.640 0.003 0.000 0.259 79 D C 0.858 177.166 176.300 0.014 0.000 1.269 79 D CA -0.417 53.515 54.000 -0.112 0.000 1.028 79 D CB 0.694 41.395 40.800 -0.166 0.000 1.093 79 D HN 0.712 nan 8.370 nan 0.000 0.545 80 K N -0.360 120.027 120.400 -0.023 0.000 2.218 80 K HA -0.190 4.132 4.320 0.003 0.000 0.205 80 K C 0.973 177.600 176.600 0.045 0.000 1.046 80 K CA 1.297 57.596 56.287 0.020 0.000 0.933 80 K CB -0.435 32.065 32.500 -0.000 0.000 0.728 80 K HN 0.184 nan 8.250 nan 0.000 0.454 81 N N 0.645 119.372 118.700 0.044 0.000 2.515 81 N HA 0.003 4.745 4.740 0.003 0.000 0.185 81 N C 1.024 176.589 175.510 0.092 0.000 1.109 81 N CA 1.104 54.185 53.050 0.052 0.000 0.903 81 N CB 0.460 38.971 38.487 0.041 0.000 0.969 81 N HN 0.591 nan 8.380 nan 0.000 0.450 82 G N 1.070 109.970 108.800 0.166 0.000 2.153 82 G HA2 -0.320 3.642 3.960 0.003 0.000 0.252 82 G HA3 -0.320 3.642 3.960 0.003 0.000 0.252 82 G C -0.112 175.000 174.900 0.353 0.000 0.994 82 G CA 0.323 45.595 45.100 0.287 0.000 0.698 82 G HN 0.512 nan 8.290 nan 0.000 0.521 83 E N 0.034 120.381 120.200 0.246 0.000 2.259 83 E HA 0.484 4.836 4.350 0.003 0.000 0.281 83 E C 0.525 177.194 176.600 0.114 0.000 1.027 83 E CA -1.048 55.468 56.400 0.194 0.000 0.838 83 E CB 0.532 30.275 29.700 0.071 0.000 1.066 83 E HN 0.243 nan 8.360 nan 0.000 0.401 84 L N 5.125 126.351 121.223 0.004 0.000 2.490 84 L HA -0.021 4.321 4.340 0.003 0.000 0.274 84 L C 0.037 176.712 176.870 -0.325 0.000 1.201 84 L CA 0.716 55.266 54.840 -0.485 0.000 0.869 84 L CB 1.276 43.096 42.059 -0.398 0.000 1.123 84 L HN 0.642 nan 8.230 nan 0.000 0.484 85 V N 2.738 122.393 119.914 -0.432 0.000 3.103 85 V HA 0.322 4.443 4.120 0.003 0.000 0.229 85 V C -0.103 175.785 176.094 -0.343 0.000 1.304 85 V CA 0.207 62.271 62.300 -0.394 0.000 1.298 85 V CB 0.536 32.001 31.823 -0.597 0.000 1.093 85 V HN 0.800 nan 8.190 nan 0.000 0.489 86 K N 0.469 120.658 120.400 -0.352 0.000 2.464 86 K HA 0.560 4.882 4.320 0.003 0.000 0.253 86 K C -0.841 175.647 176.600 -0.186 0.000 0.933 86 K CA -0.027 56.157 56.287 -0.171 0.000 0.801 86 K CB 2.091 34.533 32.500 -0.096 0.000 1.271 86 K HN 0.136 nan 8.250 nan 0.000 0.430 87 T N 4.491 118.981 114.554 -0.106 0.000 2.864 87 T HA 0.337 4.689 4.350 0.003 0.000 0.310 87 T C -0.274 174.402 174.700 -0.040 0.000 1.040 87 T CA -0.686 61.357 62.100 -0.095 0.000 0.977 87 T CB 0.094 68.911 68.868 -0.086 0.000 0.976 87 T HN 0.563 nan 8.240 nan 0.000 0.459 88 L N 5.618 126.822 121.223 -0.032 0.000 2.697 88 L HA 0.194 4.536 4.340 0.003 0.000 0.239 88 L C 1.156 178.029 176.870 0.005 0.000 1.430 88 L CA -0.119 54.717 54.840 -0.007 0.000 1.193 88 L CB -0.331 41.724 42.059 -0.007 0.000 1.516 88 L HN 0.737 nan 8.230 nan 0.000 0.439 89 D N -0.856 119.549 120.400 0.009 0.000 2.369 89 D HA -0.091 4.551 4.640 0.003 0.000 0.211 89 D C 0.770 177.083 176.300 0.021 0.000 1.077 89 D CA -0.329 53.685 54.000 0.024 0.000 0.842 89 D CB -0.084 40.733 40.800 0.028 0.000 0.947 89 D HN 0.311 nan 8.370 nan 0.000 0.509 90 N N 0.532 119.240 118.700 0.013 0.000 2.725 90 N HA -0.211 4.531 4.740 0.003 0.000 0.249 90 N C 1.056 176.569 175.510 0.005 0.000 1.103 90 N CA 1.494 54.548 53.050 0.006 0.000 0.707 90 N CB -1.479 37.008 38.487 -0.000 0.000 1.043 90 N HN 0.503 nan 8.380 nan 0.000 0.553 91 G N -1.606 107.199 108.800 0.009 0.000 2.180 91 G HA2 -0.411 3.551 3.960 0.003 0.000 0.263 91 G HA3 -0.411 3.551 3.960 0.003 0.000 0.263 91 G C 0.048 174.952 174.900 0.006 0.000 0.989 91 G CA 0.909 46.012 45.100 0.006 0.000 0.692 91 G HN 0.757 nan 8.290 nan 0.000 0.526 92 Q N -0.106 119.705 119.800 0.018 0.000 2.421 92 Q HA 0.473 4.814 4.340 0.003 0.000 0.255 92 Q C 1.112 177.131 176.000 0.032 0.000 1.013 92 Q CA -0.025 55.792 55.803 0.024 0.000 0.895 92 Q CB 0.276 29.040 28.738 0.043 0.000 1.271 92 Q HN 0.459 nan 8.270 nan 0.000 0.460 93 R N 2.828 123.335 120.500 0.011 0.000 3.701 93 R HA 0.153 4.494 4.340 0.003 0.000 0.210 93 R C -0.754 175.593 176.300 0.079 0.000 1.598 93 R CA -0.118 55.971 56.100 -0.019 0.000 1.427 93 R CB -0.419 29.793 30.300 -0.147 0.000 1.339 93 R HN 0.459 nan 8.270 nan 0.000 0.720 94 H N 0.209 119.264 119.070 -0.026 0.000 3.086 94 H HA 0.246 4.804 4.556 0.003 0.000 0.353 94 H C -1.499 173.836 175.328 0.010 0.000 1.134 94 H CA -0.615 55.432 56.048 -0.002 0.000 1.248 94 H CB 1.369 31.140 29.762 0.014 0.000 1.878 94 H HN 0.299 nan 8.280 nan 0.000 0.527 95 E N 3.318 123.216 120.200 -0.504 0.000 2.274 95 E HA 0.111 4.463 4.350 0.003 0.000 0.269 95 E C -1.141 175.215 176.600 -0.407 0.000 0.891 95 E CA -0.780 55.406 56.400 -0.357 0.000 0.784 95 E CB 1.918 31.523 29.700 -0.159 0.000 1.225 95 E HN 0.596 nan 8.360 nan 0.000 0.412 96 H N 2.632 121.464 119.070 -0.397 0.000 2.848 96 H HA 0.226 4.784 4.556 0.003 0.000 0.341 96 H C -1.076 174.182 175.328 -0.117 0.000 1.060 96 H CA -0.060 55.863 56.048 -0.209 0.000 1.444 96 H CB 1.102 30.820 29.762 -0.074 0.000 1.446 96 H HN 0.223 nan 8.280 nan 0.000 0.583 97 V N 5.916 125.661 119.914 -0.281 0.000 2.577 97 V HA 0.170 4.292 4.120 0.003 0.000 0.303 97 V C -0.847 175.022 176.094 -0.375 0.000 1.042 97 V CA -0.846 61.260 62.300 -0.325 0.000 0.872 97 V CB 1.771 33.505 31.823 -0.148 0.000 0.998 97 V HN 0.892 nan 8.190 nan 0.000 0.423 98 N N 3.669 122.147 118.700 -0.372 0.000 2.444 98 N HA 0.224 4.966 4.740 0.003 0.000 0.255 98 N C 0.739 176.192 175.510 -0.094 0.000 1.255 98 N CA -0.248 52.700 53.050 -0.171 0.000 0.933 98 N CB 0.987 39.406 38.487 -0.114 0.000 1.143 98 N HN 0.714 nan 8.380 nan 0.000 0.453 99 L N 2.278 123.477 121.223 -0.041 0.000 2.046 99 L HA -0.145 4.197 4.340 0.003 0.000 0.208 99 L C 2.073 178.910 176.870 -0.056 0.000 1.077 99 L CA 1.673 56.473 54.840 -0.068 0.000 0.747 99 L CB -0.446 41.608 42.059 -0.008 0.000 0.896 99 L HN 0.667 nan 8.230 nan 0.000 0.432 100 K N -1.766 118.621 120.400 -0.021 0.000 2.148 100 K HA -0.157 4.165 4.320 0.003 0.000 0.204 100 K C 1.057 177.640 176.600 -0.028 0.000 1.050 100 K CA 1.583 57.863 56.287 -0.012 0.000 0.942 100 K CB -0.529 31.974 32.500 0.005 0.000 0.724 100 K HN 0.277 nan 8.250 nan 0.000 0.446 101 D N 1.452 121.824 120.400 -0.047 0.000 2.363 101 D HA 0.017 4.659 4.640 0.003 0.000 0.226 101 D C -0.034 176.231 176.300 -0.057 0.000 1.020 101 D CA 0.351 54.319 54.000 -0.052 0.000 0.892 101 D CB 0.277 41.035 40.800 -0.069 0.000 0.900 101 D HN 0.012 nan 8.370 nan 0.000 0.531 102 V N 3.450 123.323 119.914 -0.069 0.000 2.407 102 V HA 0.195 4.316 4.120 0.003 0.000 0.278 102 V C -1.991 174.075 176.094 -0.047 0.000 1.037 102 V CA -1.652 60.604 62.300 -0.073 0.000 0.900 102 V CB 1.475 33.222 31.823 -0.126 0.000 0.983 102 V HN -0.064 nan 8.190 nan 0.000 0.459 103 P HA 0.102 nan 4.420 nan 0.000 0.268 103 P C 0.410 177.712 177.300 0.003 0.000 1.205 103 P CA -0.315 62.779 63.100 -0.011 0.000 0.771 103 P CB 1.084 32.780 31.700 -0.007 0.000 0.858 104 K N 2.610 123.016 120.400 0.011 0.000 2.044 104 K HA -0.104 4.218 4.320 0.003 0.000 0.210 104 K C 0.651 177.275 176.600 0.040 0.000 1.049 104 K CA 1.455 57.759 56.287 0.027 0.000 0.927 104 K CB -0.966 31.545 32.500 0.017 0.000 0.713 104 K HN 0.464 nan 8.250 nan 0.000 0.443 108 D N 2.123 122.617 120.400 0.155 0.000 2.088 108 D HA -0.148 4.493 4.640 0.003 0.000 0.191 108 D C 1.804 178.158 176.300 0.090 0.000 0.992 108 D CA 1.919 55.979 54.000 0.101 0.000 0.831 108 D CB -0.370 40.467 40.800 0.061 0.000 0.973 108 D HN 0.316 nan 8.370 nan 0.000 0.447 109 A N 0.880 123.754 122.820 0.091 0.000 1.940 109 A HA -0.226 4.096 4.320 0.003 0.000 0.221 109 A C 2.598 180.241 177.584 0.098 0.000 1.190 109 A CA 1.936 54.024 52.037 0.085 0.000 0.647 109 A CB -0.950 18.101 19.000 0.085 0.000 0.821 109 A HN 0.174 nan 8.150 nan 0.000 0.457 110 V N -0.206 119.798 119.914 0.150 0.000 2.229 110 V HA -0.259 3.863 4.120 0.003 0.000 0.243 110 V C 2.577 178.696 176.094 0.041 0.000 1.042 110 V CA 2.029 64.433 62.300 0.173 0.000 1.000 110 V CB -0.797 31.242 31.823 0.359 0.000 0.637 110 V HN 0.603 nan 8.190 nan 0.000 0.446 111 L N 0.146 121.365 121.223 -0.007 0.000 1.990 111 L HA -0.262 4.080 4.340 0.003 0.000 0.213 111 L C 2.744 179.528 176.870 -0.144 0.000 1.072 111 L CA 1.939 56.681 54.840 -0.163 0.000 0.755 111 L CB -0.931 41.053 42.059 -0.125 0.000 0.889 111 L HN 0.399 nan 8.230 nan 0.000 0.432 112 A N -1.250 121.526 122.820 -0.073 0.000 1.917 112 A HA -0.271 4.050 4.320 0.003 0.000 0.219 112 A C 2.403 179.990 177.584 0.004 0.000 1.182 112 A CA 2.672 54.675 52.037 -0.057 0.000 0.633 112 A CB -0.922 18.104 19.000 0.042 0.000 0.819 112 A HN 0.408 nan 8.150 nan 0.000 0.448 113 T N -1.901 112.664 114.554 0.019 0.000 2.978 113 T HA 0.011 4.362 4.350 0.003 0.000 0.262 113 T C 1.754 176.463 174.700 0.015 0.000 1.063 113 T CA 1.436 63.562 62.100 0.043 0.000 1.140 113 T CB -0.049 68.849 68.868 0.050 0.000 0.886 113 T HN 0.472 nan 8.240 nan 0.000 0.470 114 E N 0.267 120.441 120.200 -0.044 0.000 2.378 114 E HA 0.181 4.533 4.350 0.003 0.000 0.200 114 E C 0.048 176.559 176.600 -0.148 0.000 0.882 114 E CA 0.458 56.810 56.400 -0.080 0.000 1.061 114 E CB 0.334 29.971 29.700 -0.105 0.000 1.049 114 E HN 0.251 nan 8.360 nan 0.000 0.494 115 D N 0.461 120.719 120.400 -0.237 0.000 2.527 115 D HA 0.099 4.741 4.640 0.003 0.000 0.242 115 D C 0.402 176.557 176.300 -0.242 0.000 1.285 115 D CA -0.139 53.718 54.000 -0.238 0.000 0.886 115 D CB 0.120 40.722 40.800 -0.330 0.000 1.402 115 D HN -0.218 nan 8.370 nan 0.000 0.528 116 N N 1.609 120.143 118.700 -0.276 0.000 2.094 116 N HA -0.131 4.611 4.740 0.003 0.000 0.191 116 N C 0.545 175.960 175.510 -0.158 0.000 1.023 116 N CA 1.163 54.019 53.050 -0.323 0.000 0.857 116 N CB 0.222 38.276 38.487 -0.722 0.000 1.013 116 N HN 0.279 nan 8.380 nan 0.000 0.426 117 R N 0.428 120.870 120.500 -0.097 0.000 4.394 117 R HA 0.040 4.382 4.340 0.003 0.000 0.257 117 R C 0.588 176.891 176.300 0.004 0.000 1.727 117 R CA -0.236 55.863 56.100 -0.001 0.000 1.497 117 R CB -1.021 29.301 30.300 0.037 0.000 1.406 117 R HN 0.379 nan 8.270 nan 0.000 0.745 118 F N -0.332 119.459 119.950 -0.266 0.000 2.293 118 F HA -0.109 4.419 4.527 0.003 0.000 0.297 118 F C 1.003 176.577 175.800 -0.377 0.000 1.089 118 F CA 1.145 58.821 58.000 -0.539 0.000 1.377 118 F CB 0.170 38.785 39.000 -0.642 0.000 1.051 118 F HN 0.075 nan 8.300 nan 0.000 0.511 119 Y N 0.611 120.706 120.300 -0.342 0.000 2.546 119 Y HA 0.029 4.581 4.550 0.003 0.000 0.287 119 Y C 1.582 177.341 175.900 -0.236 0.000 1.158 119 Y CA 0.442 58.328 58.100 -0.356 0.000 1.307 119 Y CB -0.122 38.258 38.460 -0.134 0.000 1.036 119 Y HN 0.148 nan 8.280 nan 0.000 0.532 120 E N -1.993 118.178 120.200 -0.048 0.000 2.275 120 E HA 0.148 4.500 4.350 0.003 0.000 0.239 120 E C 0.538 177.126 176.600 -0.020 0.000 0.897 120 E CA 0.691 57.079 56.400 -0.019 0.000 1.044 120 E CB -0.319 29.382 29.700 0.001 0.000 1.416 120 E HN 0.216 nan 8.360 nan 0.000 0.513 121 H N -1.907 117.076 119.070 -0.146 0.000 1.452 121 H HA -0.283 4.275 4.556 0.003 0.000 0.090 121 H C 0.929 176.159 175.328 -0.164 0.000 1.472 121 H CA 2.303 58.245 56.048 -0.178 0.000 1.901 121 H CB -1.168 28.437 29.762 -0.261 0.000 2.257 121 H HN 0.501 nan 8.280 nan 0.000 0.961 122 G N -1.830 106.968 108.800 -0.004 0.000 4.083 122 G HA2 0.365 4.327 3.960 0.003 0.000 0.179 122 G HA3 0.365 4.327 3.960 0.003 0.000 0.179 122 G C -0.265 174.499 174.900 -0.227 0.000 2.061 122 G CA 0.705 45.732 45.100 -0.121 0.000 1.122 122 G HN 1.608 nan 8.290 nan 0.000 0.350 123 A N -0.557 122.069 122.820 -0.323 0.000 2.913 123 A HA 0.771 5.093 4.320 0.003 0.000 0.284 123 A C -0.272 177.157 177.584 -0.258 0.000 1.273 123 A CA 0.452 52.228 52.037 -0.434 0.000 0.899 123 A CB 0.143 18.404 19.000 -1.231 0.000 1.444 123 A HN 2.249 nan 8.150 nan 0.000 0.586 124 L N 0.087 121.250 121.223 -0.100 0.000 0.589 124 L HA -0.144 4.198 4.340 0.003 0.000 0.356 124 L C 0.563 177.137 176.870 -0.493 0.000 1.004 124 L CA 1.161 55.926 54.840 -0.125 0.000 1.223 124 L CB -0.553 41.494 42.059 -0.021 0.000 0.059 124 L HN 0.772 nan 8.230 nan 0.000 0.097 125 D N 3.681 123.744 120.400 -0.562 0.000 2.182 125 D HA -0.172 4.469 4.640 0.003 0.000 0.201 125 D C 1.400 177.323 176.300 -0.629 0.000 0.986 125 D CA 2.358 55.964 54.000 -0.656 0.000 0.847 125 D CB 0.033 40.606 40.800 -0.377 0.000 0.942 125 D HN 0.837 nan 8.370 nan 0.000 0.467 126 Y N -1.298 118.943 120.300 -0.099 0.000 2.865 126 Y HA -0.441 4.111 4.550 0.003 0.000 0.480 126 Y C 1.427 177.357 175.900 0.050 0.000 1.252 126 Y CA 1.913 60.009 58.100 -0.006 0.000 2.596 126 Y CB -1.721 36.739 38.460 -0.001 0.000 0.917 126 Y HN -0.062 nan 8.280 nan 0.000 0.522 127 K N 1.169 121.401 120.400 -0.280 0.000 2.147 127 K HA -0.030 4.292 4.320 0.003 0.000 0.205 127 K C 1.757 178.391 176.600 0.057 0.000 1.049 127 K CA 1.742 57.974 56.287 -0.093 0.000 0.936 127 K CB -0.257 32.069 32.500 -0.290 0.000 0.722 127 K HN 0.544 nan 8.250 nan 0.000 0.446 128 R N 0.020 120.522 120.500 0.003 0.000 2.297 128 R HA 0.043 4.385 4.340 0.003 0.000 0.197 128 R C 1.281 177.634 176.300 0.089 0.000 0.943 128 R CA 0.167 56.302 56.100 0.058 0.000 1.038 128 R CB 0.180 30.499 30.300 0.032 0.000 0.957 128 R HN 0.022 nan 8.270 nan 0.000 0.484 129 L N -0.680 120.615 121.223 0.120 0.000 2.616 129 L HA 0.169 4.511 4.340 0.003 0.000 0.229 129 L C 1.202 178.172 176.870 0.167 0.000 1.110 129 L CA 0.542 55.456 54.840 0.125 0.000 0.884 129 L CB -0.050 42.080 42.059 0.118 0.000 1.115 129 L HN 0.020 nan 8.230 nan 0.000 0.481 130 F N -0.155 119.838 119.950 0.071 0.000 2.084 130 F HA 0.005 4.534 4.527 0.003 0.000 0.296 130 F C 2.089 177.917 175.800 0.046 0.000 1.111 130 F CA 1.886 59.928 58.000 0.070 0.000 1.224 130 F CB -0.334 38.719 39.000 0.089 0.000 0.991 130 F HN 0.069 nan 8.300 nan 0.000 0.471 131 G N -0.746 108.170 108.800 0.192 0.000 2.453 131 G HA2 -0.037 3.925 3.960 0.003 0.000 0.215 131 G HA3 -0.037 3.925 3.960 0.003 0.000 0.215 131 G C 1.711 176.620 174.900 0.014 0.000 1.147 131 G CA 0.511 45.653 45.100 0.070 0.000 0.802 131 G HN 0.577 nan 8.290 nan 0.000 0.535 132 A N 1.660 124.504 122.820 0.039 0.000 1.902 132 A HA -0.005 4.317 4.320 0.003 0.000 0.217 132 A C 2.395 179.977 177.584 -0.003 0.000 1.181 132 A CA 1.445 53.495 52.037 0.023 0.000 0.623 132 A CB -0.462 18.560 19.000 0.036 0.000 0.818 132 A HN 0.662 nan 8.150 nan 0.000 0.443 133 I N -2.335 118.224 120.570 -0.018 0.000 2.493 133 I HA -0.028 4.144 4.170 0.003 0.000 0.254 133 I C 2.067 178.148 176.117 -0.061 0.000 1.160 133 I CA 1.345 62.623 61.300 -0.036 0.000 1.445 133 I CB -1.091 36.885 38.000 -0.039 0.000 1.086 133 I HN 0.167 nan 8.210 nan 0.000 0.433 134 G N 1.610 110.355 108.800 -0.090 0.000 2.537 134 G HA2 -0.179 3.782 3.960 0.003 0.000 0.220 134 G HA3 -0.179 3.782 3.960 0.003 0.000 0.220 134 G C 0.885 175.754 174.900 -0.053 0.000 1.111 134 G CA 0.461 45.502 45.100 -0.097 0.000 0.748 134 G HN 0.457 nan 8.290 nan 0.000 0.564 146 A N -1.015 121.822 122.820 0.027 0.000 2.609 146 A HA 0.971 5.293 4.320 0.003 0.000 0.291 146 A C -0.351 177.251 177.584 0.030 0.000 1.096 146 A CA 0.658 52.713 52.037 0.030 0.000 0.684 146 A CB 1.277 20.300 19.000 0.038 0.000 1.282 146 A HN 2.224 nan 8.150 nan 0.000 0.412 147 S N -0.591 115.124 115.700 0.025 0.000 2.688 147 S HA 0.863 5.335 4.470 0.003 0.000 0.275 147 S C -0.622 173.983 174.600 0.009 0.000 1.175 147 S CA 0.007 58.221 58.200 0.025 0.000 0.818 147 S CB 1.478 64.689 63.200 0.018 0.000 1.157 147 S HN 1.739 nan 8.310 nan 0.000 0.482 148 T N 0.616 115.176 114.554 0.010 0.000 2.887 148 T HA 0.544 4.896 4.350 0.003 0.000 0.288 148 T C 1.064 175.680 174.700 -0.140 0.000 1.021 148 T CA -0.671 61.409 62.100 -0.033 0.000 1.000 148 T CB 0.804 69.782 68.868 0.183 0.000 1.034 148 T HN 0.543 nan 8.240 nan 0.000 0.467 149 L N 3.553 124.568 121.223 -0.346 0.000 2.011 149 L HA -0.197 4.145 4.340 0.003 0.000 0.225 149 L C 2.892 179.622 176.870 -0.233 0.000 1.084 149 L CA 2.487 56.991 54.840 -0.560 0.000 0.791 149 L CB -1.252 40.141 42.059 -1.111 0.000 0.898 149 L HN 0.820 nan 8.230 nan 0.000 0.440 150 T N -0.989 113.530 114.554 -0.058 0.000 2.597 150 T HA -0.343 4.009 4.350 0.003 0.000 0.267 150 T C 1.714 176.410 174.700 -0.007 0.000 1.053 150 T CA 2.050 64.161 62.100 0.019 0.000 1.165 150 T CB -0.396 68.489 68.868 0.029 0.000 0.863 150 T HN 0.661 nan 8.240 nan 0.000 0.427 151 Q N 0.747 120.539 119.800 -0.012 0.000 2.137 151 Q HA -0.074 4.268 4.340 0.003 0.000 0.198 151 Q C 2.338 178.344 176.000 0.011 0.000 0.960 151 Q CA 1.191 56.994 55.803 -0.000 0.000 0.847 151 Q CB -0.367 28.372 28.738 0.002 0.000 0.915 151 Q HN 0.535 nan 8.270 nan 0.000 0.448 152 Q N 0.365 120.167 119.800 0.002 0.000 2.112 152 Q HA -0.173 4.169 4.340 0.003 0.000 0.206 152 Q C 2.113 178.168 176.000 0.092 0.000 0.987 152 Q CA 2.100 57.930 55.803 0.045 0.000 0.858 152 Q CB 0.006 28.769 28.738 0.041 0.000 0.905 152 Q HN 0.372 nan 8.270 nan 0.000 0.420 153 V N -0.561 119.407 119.914 0.089 0.000 2.358 153 V HA -0.235 3.887 4.120 0.003 0.000 0.246 153 V C 2.224 178.350 176.094 0.053 0.000 1.047 153 V CA 1.419 63.781 62.300 0.104 0.000 1.035 153 V CB -0.309 31.567 31.823 0.088 0.000 0.658 153 V HN 0.251 nan 8.190 nan 0.000 0.452 154 V N 0.313 120.246 119.914 0.032 0.000 2.324 154 V HA -0.364 3.758 4.120 0.003 0.000 0.250 154 V C 2.438 178.545 176.094 0.021 0.000 1.060 154 V CA 2.556 64.871 62.300 0.024 0.000 1.042 154 V CB -0.777 31.061 31.823 0.025 0.000 0.650 154 V HN 0.629 nan 8.190 nan 0.000 0.450 155 K N -0.026 120.383 120.400 0.015 0.000 2.113 155 K HA -0.253 4.069 4.320 0.003 0.000 0.208 155 K C 1.565 178.170 176.600 0.008 0.000 1.047 155 K CA 2.120 58.403 56.287 -0.006 0.000 0.928 155 K CB -0.242 32.256 32.500 -0.002 0.000 0.716 155 K HN 0.489 nan 8.250 nan 0.000 0.446 156 D N -0.080 120.343 120.400 0.039 0.000 2.340 156 D HA 0.017 4.658 4.640 0.003 0.000 0.220 156 D C 0.025 176.369 176.300 0.073 0.000 1.039 156 D CA 0.319 54.354 54.000 0.058 0.000 0.866 156 D CB 0.484 41.315 40.800 0.052 0.000 0.913 156 D HN 0.291 nan 8.370 nan 0.000 0.523 157 A N 1.031 123.890 122.820 0.065 0.000 3.117 157 A HA 0.104 4.426 4.320 0.003 0.000 0.255 157 A C 0.185 177.857 177.584 0.146 0.000 1.583 157 A CA -0.492 51.596 52.037 0.084 0.000 1.234 157 A CB -1.608 17.423 19.000 0.052 0.000 1.076 157 A HN 0.243 nan 8.150 nan 0.000 0.653 158 F N -0.204 119.745 119.950 -0.003 0.000 2.068 158 F HA -0.219 4.309 4.527 0.003 0.000 0.146 158 F C -0.291 175.514 175.800 0.008 0.000 1.001 158 F CA 0.495 58.494 58.000 -0.002 0.000 0.708 158 F CB -0.088 38.907 39.000 -0.007 0.000 0.761 158 F HN 0.388 nan 8.300 nan 0.000 0.770 159 L N 6.296 127.264 121.223 -0.425 0.000 2.843 159 L HA 0.309 4.651 4.340 0.003 0.000 0.234 159 L C 0.683 177.194 176.870 -0.598 0.000 1.264 159 L CA -0.087 54.497 54.840 -0.427 0.000 1.052 159 L CB -0.346 41.603 42.059 -0.183 0.000 1.372 159 L HN 0.849 nan 8.230 nan 0.000 0.466 160 S N 0.229 115.213 115.700 -1.193 0.000 3.654 160 S HA -0.270 4.202 4.470 0.003 0.000 0.640 160 S C 0.627 175.004 174.600 -0.372 0.000 2.223 160 S CA 0.431 58.186 58.200 -0.742 0.000 2.391 160 S CB -0.180 62.854 63.200 -0.276 0.000 0.328 160 S HN 0.632 nan 8.310 nan 0.000 1.790 161 Q N -0.087 119.651 119.800 -0.104 0.000 2.280 161 Q HA 0.267 4.609 4.340 0.003 0.000 0.228 161 Q C 0.413 176.432 176.000 0.033 0.000 0.857 161 Q CA 0.474 56.270 55.803 -0.011 0.000 0.939 161 Q CB 0.350 29.119 28.738 0.053 0.000 1.114 161 Q HN 0.656 nan 8.270 nan 0.000 0.514 162 H N 0.547 119.582 119.070 -0.058 0.000 2.562 162 H HA 0.124 4.681 4.556 0.003 0.000 0.352 162 H C 0.284 175.579 175.328 -0.055 0.000 1.125 162 H CA 0.437 56.458 56.048 -0.044 0.000 1.379 162 H CB 0.883 30.624 29.762 -0.034 0.000 1.464 162 H HN 0.095 nan 8.280 nan 0.000 0.563 163 K N 1.202 121.267 120.400 -0.558 0.000 3.248 163 K HA 0.127 4.449 4.320 0.003 0.000 0.255 163 K C 0.366 176.641 176.600 -0.541 0.000 1.395 163 K CA -0.252 55.780 56.287 -0.425 0.000 1.139 163 K CB -0.333 32.051 32.500 -0.194 0.000 2.091 163 K HN 0.415 nan 8.250 nan 0.000 0.408 164 S N 1.592 117.099 115.700 -0.321 0.000 3.231 164 S HA -0.160 4.312 4.470 0.003 0.000 0.334 164 S C 0.640 175.156 174.600 -0.140 0.000 0.910 164 S CA 0.687 58.779 58.200 -0.180 0.000 1.342 164 S CB -2.011 61.134 63.200 -0.092 0.000 0.950 164 S HN 0.826 nan 8.310 nan 0.000 0.526 165 I N -1.686 118.825 120.570 -0.099 0.000 4.048 165 I HA -0.322 3.849 4.170 0.003 0.000 0.269 165 I C 0.919 176.998 176.117 -0.064 0.000 1.179 165 I CA 1.648 62.912 61.300 -0.060 0.000 1.565 165 I CB -1.797 36.187 38.000 -0.028 0.000 1.894 165 I HN 0.510 nan 8.210 nan 0.000 0.403 166 G N 1.019 109.748 108.800 -0.118 0.000 2.599 166 G HA2 0.019 3.981 3.960 0.003 0.000 0.210 166 G HA3 0.019 3.981 3.960 0.003 0.000 0.210 166 G C 1.298 176.147 174.900 -0.084 0.000 1.177 166 G CA 0.560 45.606 45.100 -0.090 0.000 0.835 166 G HN 0.471 nan 8.290 nan 0.000 0.575 167 R N 0.868 121.288 120.500 -0.134 0.000 2.096 167 R HA -0.123 4.219 4.340 0.003 0.000 0.240 167 R C 2.415 178.680 176.300 -0.058 0.000 1.139 167 R CA 1.897 57.933 56.100 -0.106 0.000 0.952 167 R CB -0.288 29.931 30.300 -0.135 0.000 0.854 167 R HN 0.263 nan 8.270 nan 0.000 0.436 168 K N -0.241 120.126 120.400 -0.055 0.000 2.209 168 K HA -0.106 4.216 4.320 0.003 0.000 0.204 168 K C 2.054 178.661 176.600 0.013 0.000 1.048 168 K CA 1.236 57.513 56.287 -0.017 0.000 0.940 168 K CB -0.100 32.388 32.500 -0.019 0.000 0.729 168 K HN 0.269 nan 8.250 nan 0.000 0.451 169 A N 1.568 124.390 122.820 0.003 0.000 1.855 169 A HA -0.206 4.115 4.320 0.003 0.000 0.215 169 A C 2.085 179.701 177.584 0.053 0.000 1.191 169 A CA 1.264 53.316 52.037 0.024 0.000 0.613 169 A CB -0.368 18.633 19.000 0.001 0.000 0.829 169 A HN 0.265 nan 8.150 nan 0.000 0.442 170 Q N -0.928 118.893 119.800 0.036 0.000 2.049 170 Q HA -0.169 4.173 4.340 0.003 0.000 0.198 170 Q C 2.113 178.174 176.000 0.101 0.000 0.971 170 Q CA 1.259 57.102 55.803 0.066 0.000 0.833 170 Q CB -0.225 28.530 28.738 0.029 0.000 0.896 170 Q HN 0.831 nan 8.270 nan 0.000 0.434 171 E N 0.790 121.023 120.200 0.055 0.000 2.108 171 E HA -0.308 4.043 4.350 0.003 0.000 0.203 171 E C 1.837 178.487 176.600 0.085 0.000 1.022 171 E CA 1.473 57.903 56.400 0.051 0.000 0.823 171 E CB -0.118 29.594 29.700 0.019 0.000 0.744 171 E HN 0.365 nan 8.360 nan 0.000 0.456 172 A N -0.382 122.506 122.820 0.113 0.000 1.930 172 A HA -0.170 4.152 4.320 0.003 0.000 0.217 172 A C 2.005 179.746 177.584 0.262 0.000 1.175 172 A CA 1.429 53.560 52.037 0.157 0.000 0.627 172 A CB -0.759 18.338 19.000 0.163 0.000 0.815 172 A HN 0.586 nan 8.150 nan 0.000 0.443 173 Y N 0.119 120.499 120.300 0.133 0.000 2.206 173 Y HA -0.019 4.533 4.550 0.003 0.000 0.292 173 Y C 2.035 178.026 175.900 0.150 0.000 1.123 173 Y CA 1.477 59.671 58.100 0.156 0.000 1.142 173 Y CB -0.155 38.356 38.460 0.085 0.000 1.006 173 Y HN 0.192 nan 8.280 nan 0.000 0.518 174 L N -0.751 120.606 121.223 0.222 0.000 2.043 174 L HA -0.318 4.024 4.340 0.003 0.000 0.212 174 L C 2.778 179.682 176.870 0.056 0.000 1.075 174 L CA 1.634 56.549 54.840 0.125 0.000 0.752 174 L CB -0.930 41.198 42.059 0.116 0.000 0.891 174 L HN 0.237 nan 8.230 nan 0.000 0.432 175 S N -0.792 114.931 115.700 0.039 0.000 2.359 175 S HA -0.263 4.209 4.470 0.003 0.000 0.222 175 S C 2.040 176.598 174.600 -0.071 0.000 1.038 175 S CA 1.606 59.784 58.200 -0.035 0.000 1.051 175 S CB -0.408 62.736 63.200 -0.094 0.000 0.944 175 S HN 0.372 nan 8.310 nan 0.000 0.433 176 Y N 1.710 121.967 120.300 -0.072 0.000 2.207 176 Y HA -0.001 4.551 4.550 0.003 0.000 0.287 176 Y C 2.855 178.676 175.900 -0.130 0.000 1.156 176 Y CA 1.533 59.565 58.100 -0.114 0.000 1.182 176 Y CB -0.272 38.078 38.460 -0.184 0.000 0.979 176 Y HN 0.172 nan 8.280 nan 0.000 0.521 177 R N -0.074 120.413 120.500 -0.022 0.000 2.073 177 R HA -0.175 4.167 4.340 0.003 0.000 0.234 177 R C 2.352 178.691 176.300 0.065 0.000 1.134 177 R CA 1.398 57.484 56.100 -0.023 0.000 0.952 177 R CB -0.981 29.299 30.300 -0.034 0.000 0.850 177 R HN 0.388 nan 8.270 nan 0.000 0.433 178 L N 0.917 122.191 121.223 0.085 0.000 2.141 178 L HA -0.159 4.183 4.340 0.003 0.000 0.209 178 L C 2.097 179.072 176.870 0.174 0.000 1.094 178 L CA 1.355 56.291 54.840 0.160 0.000 0.763 178 L CB -0.113 41.994 42.059 0.080 0.000 0.908 178 L HN 0.101 nan 8.230 nan 0.000 0.437 179 E N -0.487 119.759 120.200 0.076 0.000 2.204 179 E HA -0.235 4.116 4.350 0.003 0.000 0.194 179 E C 2.029 178.662 176.600 0.055 0.000 0.989 179 E CA 1.006 57.433 56.400 0.045 0.000 0.824 179 E CB 0.148 29.829 29.700 -0.031 0.000 0.756 179 E HN 0.536 nan 8.360 nan 0.000 0.477 180 Q N -0.837 118.998 119.800 0.059 0.000 2.424 180 Q HA 0.011 4.352 4.340 0.003 0.000 0.204 180 Q C 1.258 177.265 176.000 0.012 0.000 0.933 180 Q CA 0.570 56.392 55.803 0.033 0.000 0.929 180 Q CB 0.412 29.165 28.738 0.025 0.000 1.037 180 Q HN 0.272 nan 8.270 nan 0.000 0.511 181 E N -1.166 119.055 120.200 0.036 0.000 2.290 181 E HA 0.046 4.398 4.350 0.003 0.000 0.197 181 E C -0.610 175.804 176.600 -0.310 0.000 0.948 181 E CA 0.301 56.634 56.400 -0.112 0.000 0.895 181 E CB 0.644 30.305 29.700 -0.065 0.000 0.865 181 E HN 0.122 nan 8.360 nan 0.000 0.486 182 Y N 0.324 120.642 120.300 0.029 0.000 2.485 182 Y HA 0.266 4.817 4.550 0.003 0.000 0.345 182 Y C 0.384 176.304 175.900 0.033 0.000 0.998 182 Y CA -1.309 56.816 58.100 0.041 0.000 1.059 182 Y CB 1.658 40.151 38.460 0.055 0.000 1.234 182 Y HN -0.151 nan 8.280 nan 0.000 0.461 183 S N 1.544 117.358 115.700 0.191 0.000 2.624 183 S HA 0.199 4.671 4.470 0.003 0.000 0.263 183 S C 0.971 175.647 174.600 0.126 0.000 1.287 183 S CA -0.789 57.486 58.200 0.124 0.000 0.990 183 S CB 1.002 64.278 63.200 0.126 0.000 0.950 183 S HN 0.616 nan 8.310 nan 0.000 0.561 184 K N 0.966 121.388 120.400 0.036 0.000 2.063 184 K HA -0.128 4.194 4.320 0.003 0.000 0.208 184 K C 1.454 178.183 176.600 0.215 0.000 1.048 184 K CA 1.737 57.986 56.287 -0.064 0.000 0.928 184 K CB -0.829 31.375 32.500 -0.495 0.000 0.713 184 K HN 0.663 nan 8.250 nan 0.000 0.442 185 D N 1.035 121.602 120.400 0.278 0.000 2.084 185 D HA -0.121 4.521 4.640 0.003 0.000 0.196 185 D C 1.522 177.996 176.300 0.290 0.000 0.985 185 D CA 1.089 55.303 54.000 0.357 0.000 0.826 185 D CB -0.386 40.595 40.800 0.302 0.000 0.978 185 D HN 0.127 nan 8.370 nan 0.000 0.456 186 D N -0.257 120.290 120.400 0.244 0.000 2.221 186 D HA -0.095 4.546 4.640 0.003 0.000 0.204 186 D C 2.015 178.432 176.300 0.194 0.000 0.982 186 D CA 0.462 54.599 54.000 0.228 0.000 0.857 186 D CB -0.074 40.900 40.800 0.291 0.000 0.934 186 D HN 0.282 nan 8.370 nan 0.000 0.475 187 I N -0.449 120.249 120.570 0.213 0.000 2.277 187 I HA -0.182 3.990 4.170 0.003 0.000 0.243 187 I C 2.018 178.260 176.117 0.209 0.000 1.094 187 I CA 0.318 61.718 61.300 0.167 0.000 1.393 187 I CB -0.144 37.974 38.000 0.197 0.000 1.078 187 I HN -0.048 nan 8.210 nan 0.000 0.417 188 F N 1.932 121.888 119.950 0.010 0.000 2.154 188 F HA -0.277 4.252 4.527 0.003 0.000 0.301 188 F C 2.558 178.408 175.800 0.084 0.000 1.087 188 F CA 1.801 59.749 58.000 -0.086 0.000 1.274 188 F CB -0.783 38.177 39.000 -0.067 0.000 1.009 188 F HN 0.159 nan 8.300 nan 0.000 0.485 189 Q N -0.196 119.734 119.800 0.217 0.000 1.993 189 Q HA -0.156 4.186 4.340 0.003 0.000 0.202 189 Q C 2.233 178.328 176.000 0.158 0.000 0.984 189 Q CA 2.252 58.124 55.803 0.115 0.000 0.837 189 Q CB -0.303 28.516 28.738 0.136 0.000 0.902 189 Q HN 0.231 nan 8.270 nan 0.000 0.423 190 V N 0.623 120.632 119.914 0.158 0.000 2.469 190 V HA -0.287 3.835 4.120 0.003 0.000 0.251 190 V C 1.956 178.150 176.094 0.168 0.000 1.064 190 V CA 2.079 64.455 62.300 0.126 0.000 1.066 190 V CB -0.836 31.021 31.823 0.057 0.000 0.667 190 V HN 0.476 nan 8.190 nan 0.000 0.461 191 Y N 0.485 120.835 120.300 0.083 0.000 2.049 191 Y HA -0.249 4.303 4.550 0.003 0.000 0.277 191 Y C 2.220 178.194 175.900 0.123 0.000 1.143 191 Y CA 1.872 60.028 58.100 0.094 0.000 1.115 191 Y CB -0.190 38.340 38.460 0.118 0.000 0.975 191 Y HN 0.135 nan 8.280 nan 0.000 0.487 192 L N 0.866 122.205 121.223 0.192 0.000 2.549 192 L HA -0.206 4.136 4.340 0.003 0.000 0.230 192 L C 1.509 178.434 176.870 0.090 0.000 1.162 192 L CA 0.669 55.556 54.840 0.077 0.000 0.834 192 L CB -0.456 41.592 42.059 -0.018 0.000 0.947 192 L HN 0.428 nan 8.230 nan 0.000 0.452 193 N N -0.721 118.056 118.700 0.128 0.000 2.482 193 N HA -0.004 4.738 4.740 0.003 0.000 0.179 193 N C 1.596 177.243 175.510 0.227 0.000 1.039 193 N CA 0.585 53.764 53.050 0.215 0.000 0.884 193 N CB 0.349 38.983 38.487 0.247 0.000 1.113 193 N HN 0.298 nan 8.380 nan 0.000 0.440 194 K N 1.050 121.512 120.400 0.104 0.000 2.202 194 K HA 0.156 4.478 4.320 0.003 0.000 0.201 194 K C 1.121 177.745 176.600 0.040 0.000 1.051 194 K CA -0.006 56.311 56.287 0.050 0.000 0.977 194 K CB 0.270 32.783 32.500 0.021 0.000 0.792 194 K HN 0.187 nan 8.250 nan 0.000 0.469 195 I N -1.248 119.296 120.570 -0.043 0.000 3.045 195 I HA -0.069 4.103 4.170 0.003 0.000 0.288 195 I C 0.025 176.152 176.117 0.016 0.000 1.238 195 I CA -0.236 60.995 61.300 -0.116 0.000 1.396 195 I CB 0.157 37.897 38.000 -0.435 0.000 1.355 195 I HN -0.070 nan 8.210 nan 0.000 0.601 196 Y N 4.065 124.243 120.300 -0.203 0.000 2.334 196 Y HA 0.353 4.905 4.550 0.003 0.000 0.328 196 Y C -0.546 175.213 175.900 -0.234 0.000 1.130 196 Y CA -0.649 57.396 58.100 -0.092 0.000 1.163 196 Y CB 1.092 39.516 38.460 -0.060 0.000 1.207 196 Y HN 0.567 nan 8.280 nan 0.000 0.471 197 Y N 3.275 123.150 120.300 -0.709 0.000 2.707 197 Y HA 0.248 4.800 4.550 0.003 0.000 0.249 197 Y C 0.361 175.955 175.900 -0.510 0.000 1.166 197 Y CA 0.258 58.108 58.100 -0.417 0.000 1.184 197 Y CB 0.265 38.668 38.460 -0.095 0.000 1.240 197 Y HN 0.708 nan 8.280 nan 0.000 0.547 198 S N 1.004 116.002 115.700 -1.171 0.000 3.663 198 S HA -0.206 4.265 4.470 0.003 0.000 0.779 198 S C -0.194 174.292 174.600 -0.189 0.000 1.254 198 S CA 0.230 58.159 58.200 -0.452 0.000 1.164 198 S CB -0.596 62.637 63.200 0.055 0.000 0.532 198 S HN 0.682 nan 8.310 nan 0.000 0.505 199 D N 1.211 121.656 120.400 0.076 0.000 2.737 199 D HA -0.178 4.464 4.640 0.003 0.000 0.233 199 D C 1.141 177.418 176.300 -0.038 0.000 1.155 199 D CA 2.741 56.754 54.000 0.023 0.000 0.667 199 D CB -1.868 38.906 40.800 -0.043 0.000 1.060 199 D HN 2.080 nan 8.370 nan 0.000 0.427 200 G N -1.979 106.954 108.800 0.221 0.000 2.184 200 G HA2 -0.355 3.607 3.960 0.003 0.000 0.264 200 G HA3 -0.355 3.607 3.960 0.003 0.000 0.264 200 G C 0.450 175.454 174.900 0.173 0.000 0.975 200 G CA 0.280 45.529 45.100 0.249 0.000 0.642 200 G HN 0.606 nan 8.290 nan 0.000 0.536 201 V N 2.531 122.427 119.914 -0.030 0.000 2.427 201 V HA 0.523 4.645 4.120 0.003 0.000 0.268 201 V C 0.906 177.083 176.094 0.138 0.000 1.046 201 V CA 0.571 62.826 62.300 -0.074 0.000 0.970 201 V CB 0.889 32.563 31.823 -0.248 0.000 1.001 201 V HN 0.702 nan 8.190 nan 0.000 0.476 202 T N 1.795 116.473 114.554 0.208 0.000 2.770 202 T HA 0.757 5.109 4.350 0.003 0.000 0.283 202 T C 0.143 175.053 174.700 0.349 0.000 0.988 202 T CA 0.041 62.320 62.100 0.298 0.000 0.957 202 T CB 1.231 70.166 68.868 0.112 0.000 0.930 202 T HN 1.742 nan 8.240 nan 0.000 0.443 203 G N 2.144 111.164 108.800 0.368 0.000 2.692 203 G HA2 -0.065 3.896 3.960 0.003 0.000 0.686 203 G HA3 -0.065 3.896 3.960 0.003 0.000 0.686 203 G C 0.135 174.926 174.900 -0.181 0.000 1.243 203 G CA -0.278 44.952 45.100 0.216 0.000 0.782 203 G HN 0.913 nan 8.290 nan 0.000 0.625 204 I N 0.823 121.299 120.570 -0.157 0.000 2.353 204 I HA 0.022 4.194 4.170 0.003 0.000 0.248 204 I C 2.570 178.569 176.117 -0.197 0.000 1.119 204 I CA 2.332 63.455 61.300 -0.295 0.000 1.417 204 I CB -0.124 37.841 38.000 -0.058 0.000 1.078 204 I HN 0.691 nan 8.210 nan 0.000 0.421 205 K N 1.088 121.416 120.400 -0.121 0.000 2.147 205 K HA -0.070 4.251 4.320 0.003 0.000 0.205 205 K C 1.947 178.498 176.600 -0.081 0.000 1.049 205 K CA 1.728 57.962 56.287 -0.090 0.000 0.936 205 K CB -0.430 32.012 32.500 -0.098 0.000 0.722 205 K HN 0.348 nan 8.250 nan 0.000 0.446 206 A N 0.612 123.365 122.820 -0.111 0.000 1.872 206 A HA 0.091 4.412 4.320 0.003 0.000 0.214 206 A C 2.410 179.948 177.584 -0.077 0.000 1.187 206 A CA 1.605 53.592 52.037 -0.083 0.000 0.614 206 A CB -1.190 17.769 19.000 -0.067 0.000 0.826 206 A HN 0.406 nan 8.150 nan 0.000 0.442 207 A N 0.222 122.921 122.820 -0.203 0.000 1.896 207 A HA -0.062 4.259 4.320 0.003 0.000 0.220 207 A C 2.538 180.227 177.584 0.175 0.000 1.206 207 A CA 2.932 54.912 52.037 -0.094 0.000 0.647 207 A CB -1.258 17.489 19.000 -0.422 0.000 0.828 207 A HN 1.191 nan 8.150 nan 0.000 0.455 208 A N -0.744 122.154 122.820 0.131 0.000 1.877 208 A HA -0.167 4.155 4.320 0.003 0.000 0.216 208 A C 2.109 179.827 177.584 0.223 0.000 1.186 208 A CA 2.432 54.616 52.037 0.245 0.000 0.620 208 A CB -0.456 18.619 19.000 0.126 0.000 0.822 208 A HN 0.493 nan 8.150 nan 0.000 0.443 209 K N -1.404 119.067 120.400 0.118 0.000 2.097 209 K HA -0.130 4.191 4.320 0.003 0.000 0.206 209 K C 1.702 178.357 176.600 0.091 0.000 1.049 209 K CA 1.559 57.901 56.287 0.092 0.000 0.933 209 K CB -0.547 31.984 32.500 0.052 0.000 0.717 209 K HN 0.620 nan 8.250 nan 0.000 0.442 210 Y N -0.565 119.689 120.300 -0.076 0.000 2.079 210 Y HA -0.295 4.257 4.550 0.003 0.000 0.267 210 Y C 1.761 177.549 175.900 -0.187 0.000 1.104 210 Y CA 1.981 59.965 58.100 -0.194 0.000 1.086 210 Y CB -0.416 37.810 38.460 -0.389 0.000 0.989 210 Y HN 0.073 nan 8.280 nan 0.000 0.477 211 Y N -1.289 118.877 120.300 -0.223 0.000 2.207 211 Y HA -0.238 4.314 4.550 0.003 0.000 0.287 211 Y C 1.547 176.922 175.900 -0.876 0.000 1.156 211 Y CA 1.621 59.309 58.100 -0.685 0.000 1.182 211 Y CB -0.213 37.768 38.460 -0.798 0.000 0.979 211 Y HN 0.158 nan 8.280 nan 0.000 0.521 212 F N -2.334 117.676 119.950 0.099 0.000 2.767 212 F HA 0.229 4.758 4.527 0.003 0.000 0.323 212 F C 0.771 176.582 175.800 0.019 0.000 1.091 212 F CA -0.342 57.685 58.000 0.045 0.000 1.192 212 F CB 0.151 39.185 39.000 0.057 0.000 1.056 212 F HN -0.180 nan 8.300 nan 0.000 0.571 213 N N 1.883 120.661 118.700 0.130 0.000 2.708 213 N HA -0.227 4.515 4.740 0.003 0.000 0.249 213 N C -0.603 174.968 175.510 0.101 0.000 1.097 213 N CA 0.659 53.759 53.050 0.085 0.000 0.710 213 N CB -0.761 37.753 38.487 0.046 0.000 1.032 213 N HN 0.355 nan 8.380 nan 0.000 0.551 214 K N 0.384 120.870 120.400 0.143 0.000 2.221 214 K HA 0.273 4.595 4.320 0.003 0.000 0.258 214 K C -0.545 176.097 176.600 0.070 0.000 0.944 214 K CA -0.834 55.514 56.287 0.101 0.000 0.823 214 K CB 1.161 33.725 32.500 0.107 0.000 1.113 214 K HN 0.023 nan 8.250 nan 0.000 0.431 215 D N 2.289 122.711 120.400 0.037 0.000 2.362 215 D HA 0.031 4.672 4.640 0.003 0.000 0.242 215 D C 1.565 177.872 176.300 0.012 0.000 1.132 215 D CA 0.025 54.036 54.000 0.019 0.000 0.907 215 D CB 1.047 41.852 40.800 0.007 0.000 1.195 215 D HN 0.362 nan 8.370 nan 0.000 0.429 216 L N 1.642 122.865 121.223 0.001 0.000 2.012 216 L HA -0.266 4.075 4.340 0.003 0.000 0.210 216 L C 2.481 179.344 176.870 -0.010 0.000 1.073 216 L CA 1.479 56.316 54.840 -0.005 0.000 0.748 216 L CB -0.629 41.420 42.059 -0.016 0.000 0.891 216 L HN 0.496 nan 8.230 nan 0.000 0.431 217 K N 1.191 121.584 120.400 -0.011 0.000 2.059 217 K HA -0.224 4.098 4.320 0.003 0.000 0.212 217 K C 0.175 176.768 176.600 -0.011 0.000 1.050 217 K CA 2.062 58.343 56.287 -0.010 0.000 0.927 217 K CB -0.900 31.595 32.500 -0.008 0.000 0.714 217 K HN 0.527 nan 8.250 nan 0.000 0.447 218 D N 1.477 121.871 120.400 -0.010 0.000 2.622 218 D HA 0.340 4.982 4.640 0.003 0.000 0.262 218 D C -0.331 175.953 176.300 -0.026 0.000 1.189 218 D CA -0.652 53.340 54.000 -0.013 0.000 0.985 218 D CB 0.539 41.335 40.800 -0.007 0.000 0.994 218 D HN 0.428 nan 8.370 nan 0.000 0.513 219 L N -0.632 120.566 121.223 -0.042 0.000 2.434 219 L HA 0.640 4.982 4.340 0.003 0.000 0.260 219 L C -1.192 175.626 176.870 -0.087 0.000 0.983 219 L CA -1.193 53.595 54.840 -0.086 0.000 0.820 219 L CB 1.922 43.912 42.059 -0.115 0.000 1.361 219 L HN 0.100 nan 8.230 nan 0.000 0.410 220 N N 2.849 121.479 118.700 -0.116 0.000 2.364 220 N HA 0.286 5.028 4.740 0.003 0.000 0.264 220 N C 0.577 176.045 175.510 -0.069 0.000 1.263 220 N CA -0.606 52.397 53.050 -0.078 0.000 0.959 220 N CB 0.577 39.021 38.487 -0.072 0.000 1.204 220 N HN 0.901 nan 8.380 nan 0.000 0.550 221 L N -0.850 120.358 121.223 -0.025 0.000 2.093 221 L HA -0.091 4.251 4.340 0.003 0.000 0.208 221 L C 2.433 179.310 176.870 0.012 0.000 1.085 221 L CA 1.503 56.349 54.840 0.010 0.000 0.755 221 L CB -0.799 41.289 42.059 0.049 0.000 0.904 221 L HN 0.758 nan 8.230 nan 0.000 0.435 222 A N 0.371 123.185 122.820 -0.010 0.000 1.865 222 A HA -0.265 4.057 4.320 0.003 0.000 0.217 222 A C 2.161 179.730 177.584 -0.024 0.000 1.191 222 A CA 1.983 54.017 52.037 -0.004 0.000 0.623 222 A CB -0.550 18.430 19.000 -0.033 0.000 0.826 222 A HN 0.420 nan 8.150 nan 0.000 0.444 223 E N -0.419 119.683 120.200 -0.164 0.000 2.058 223 E HA -0.219 4.133 4.350 0.003 0.000 0.194 223 E C 2.095 178.660 176.600 -0.059 0.000 0.997 223 E CA 1.611 57.817 56.400 -0.323 0.000 0.801 223 E CB -0.181 29.067 29.700 -0.753 0.000 0.746 223 E HN 0.749 nan 8.360 nan 0.000 0.450 224 E N 0.333 120.510 120.200 -0.038 0.000 2.051 224 E HA -0.213 4.139 4.350 0.003 0.000 0.192 224 E C 2.137 178.782 176.600 0.076 0.000 0.991 224 E CA 0.816 57.235 56.400 0.032 0.000 0.799 224 E CB -0.180 29.535 29.700 0.023 0.000 0.748 224 E HN 0.252 nan 8.360 nan 0.000 0.449 225 A N 1.281 124.148 122.820 0.078 0.000 1.869 225 A HA -0.284 4.038 4.320 0.003 0.000 0.218 225 A C 2.091 179.735 177.584 0.100 0.000 1.203 225 A CA 1.968 54.060 52.037 0.092 0.000 0.638 225 A CB -1.190 17.873 19.000 0.106 0.000 0.831 225 A HN 0.478 nan 8.150 nan 0.000 0.450 226 Y N 0.396 120.705 120.300 0.015 0.000 2.053 226 Y HA -0.247 4.304 4.550 0.003 0.000 0.277 226 Y C 2.104 178.036 175.900 0.053 0.000 1.159 226 Y CA 2.194 60.299 58.100 0.008 0.000 1.125 226 Y CB -0.403 38.073 38.460 0.026 0.000 0.969 226 Y HN 0.234 nan 8.280 nan 0.000 0.492 227 L N 0.152 121.394 121.223 0.031 0.000 2.043 227 L HA -0.295 4.047 4.340 0.003 0.000 0.212 227 L C 2.859 179.782 176.870 0.088 0.000 1.075 227 L CA 1.301 56.172 54.840 0.051 0.000 0.752 227 L CB -1.068 41.115 42.059 0.207 0.000 0.891 227 L HN 0.428 nan 8.230 nan 0.000 0.432 228 A N 0.233 123.100 122.820 0.078 0.000 1.908 228 A HA -0.158 4.164 4.320 0.003 0.000 0.218 228 A C 2.398 179.989 177.584 0.012 0.000 1.181 228 A CA 1.864 53.954 52.037 0.089 0.000 0.627 228 A CB -1.260 17.793 19.000 0.088 0.000 0.818 228 A HN 0.467 nan 8.150 nan 0.000 0.445 229 G N -0.753 107.999 108.800 -0.079 0.000 2.448 229 G HA2 -0.038 3.924 3.960 0.003 0.000 0.218 229 G HA3 -0.038 3.924 3.960 0.003 0.000 0.218 229 G C 1.425 176.215 174.900 -0.184 0.000 1.135 229 G CA 0.987 45.994 45.100 -0.154 0.000 0.784 229 G HN 0.391 nan 8.290 nan 0.000 0.543 230 L N 1.472 122.542 121.223 -0.255 0.000 2.017 230 L HA 0.055 4.397 4.340 0.003 0.000 0.208 230 L C -0.325 176.485 176.870 -0.099 0.000 1.073 230 L CA 1.648 56.360 54.840 -0.214 0.000 0.745 230 L CB -0.745 41.143 42.059 -0.284 0.000 0.894 230 L HN 0.092 nan 8.230 nan 0.000 0.432 231 P HA -0.159 nan 4.420 nan 0.000 0.236 231 P C 1.197 178.454 177.300 -0.072 0.000 1.172 231 P CA 0.841 63.769 63.100 -0.286 0.000 0.759 231 P CB -0.053 31.378 31.700 -0.448 0.000 0.843 232 Q N 0.613 120.439 119.800 0.043 0.000 2.020 232 Q HA -0.052 4.289 4.340 0.003 0.000 0.198 232 Q C 0.585 176.619 176.000 0.056 0.000 0.974 232 Q CA 1.460 57.322 55.803 0.100 0.000 0.829 232 Q CB 0.168 29.028 28.738 0.203 0.000 0.894 232 Q HN 0.172 nan 8.270 nan 0.000 0.433 233 V N -2.944 116.992 119.914 0.037 0.000 2.546 233 V HA 0.340 4.461 4.120 0.003 0.000 0.260 233 V C -2.447 173.555 176.094 -0.152 0.000 0.933 233 V CA -1.485 60.713 62.300 -0.169 0.000 0.994 233 V CB 0.958 32.527 31.823 -0.424 0.000 1.160 233 V HN 0.018 nan 8.190 nan 0.000 0.523 234 P HA -0.187 nan 4.420 nan 0.000 0.214 234 P C 1.415 178.740 177.300 0.041 0.000 1.172 234 P CA 2.054 65.166 63.100 0.019 0.000 0.925 234 P CB 0.116 31.801 31.700 -0.025 0.000 0.793 235 N N -0.667 118.063 118.700 0.050 0.000 2.094 235 N HA -0.162 4.580 4.740 0.003 0.000 0.191 235 N C 1.557 177.032 175.510 -0.059 0.000 1.023 235 N CA 1.300 54.393 53.050 0.071 0.000 0.857 235 N CB -1.334 37.210 38.487 0.095 0.000 1.013 235 N HN 0.183 nan 8.380 nan 0.000 0.426 236 N N -0.260 118.285 118.700 -0.259 0.000 2.309 236 N HA -0.057 4.684 4.740 0.003 0.000 0.182 236 N C 0.798 176.061 175.510 -0.412 0.000 1.018 236 N CA 0.763 53.479 53.050 -0.556 0.000 0.876 236 N CB -0.099 38.032 38.487 -0.592 0.000 0.972 236 N HN 0.478 nan 8.380 nan 0.000 0.434 237 Y N -0.727 119.534 120.300 -0.064 0.000 2.458 237 Y HA 0.186 4.737 4.550 0.003 0.000 0.256 237 Y C 0.597 176.595 175.900 0.162 0.000 1.159 237 Y CA -0.801 57.322 58.100 0.038 0.000 1.261 237 Y CB 0.175 38.630 38.460 -0.007 0.000 1.119 237 Y HN 0.020 nan 8.280 nan 0.000 0.524 238 N N 2.480 121.371 118.700 0.317 0.000 2.434 238 N HA -0.046 4.696 4.740 0.003 0.000 0.268 238 N C 1.153 176.850 175.510 0.313 0.000 1.256 238 N CA 0.026 53.291 53.050 0.358 0.000 0.914 238 N CB 0.695 39.412 38.487 0.384 0.000 1.088 238 N HN 0.450 nan 8.380 nan 0.000 0.478 239 I N 2.954 123.610 120.570 0.144 0.000 2.248 239 I HA -0.282 3.890 4.170 0.003 0.000 0.248 239 I C 1.409 177.504 176.117 -0.037 0.000 1.107 239 I CA 1.167 62.417 61.300 -0.083 0.000 1.373 239 I CB -0.674 37.034 38.000 -0.485 0.000 1.055 239 I HN 0.479 nan 8.210 nan 0.000 0.418 240 Y N 1.545 121.907 120.300 0.104 0.000 2.165 240 Y HA -0.241 4.311 4.550 0.003 0.000 0.286 240 Y C 2.270 178.203 175.900 0.055 0.000 1.155 240 Y CA 1.732 59.877 58.100 0.075 0.000 1.164 240 Y CB -0.465 38.062 38.460 0.112 0.000 0.978 240 Y HN 0.243 nan 8.280 nan 0.000 0.513 241 D N -2.003 118.545 120.400 0.246 0.000 2.146 241 D HA -0.047 4.595 4.640 0.003 0.000 0.209 241 D C 0.296 176.515 176.300 -0.135 0.000 0.973 241 D CA 1.346 55.378 54.000 0.054 0.000 0.860 241 D CB -0.214 40.672 40.800 0.143 0.000 1.015 241 D HN 0.314 nan 8.370 nan 0.000 0.465 242 H N -0.196 118.942 119.070 0.113 0.000 2.328 242 H HA 0.236 4.794 4.556 0.003 0.000 0.230 242 H C -1.748 173.633 175.328 0.087 0.000 1.481 242 H CA -1.550 54.556 56.048 0.096 0.000 1.306 242 H CB 0.945 30.772 29.762 0.110 0.000 1.531 242 H HN 0.067 nan 8.280 nan 0.000 0.533 243 P HA -0.216 nan 4.420 nan 0.000 0.215 243 P C 0.960 178.299 177.300 0.064 0.000 1.153 243 P CA 1.336 64.464 63.100 0.046 0.000 0.853 243 P CB 0.566 32.264 31.700 -0.005 0.000 0.788 244 K N 0.370 120.816 120.400 0.078 0.000 2.044 244 K HA -0.115 4.207 4.320 0.003 0.000 0.210 244 K C 2.391 179.058 176.600 0.112 0.000 1.049 244 K CA 1.747 58.080 56.287 0.076 0.000 0.927 244 K CB -0.981 31.561 32.500 0.070 0.000 0.713 244 K HN 0.048 nan 8.250 nan 0.000 0.443 245 A N 1.819 124.745 122.820 0.178 0.000 1.898 245 A HA -0.037 4.285 4.320 0.003 0.000 0.216 245 A C 2.483 180.216 177.584 0.248 0.000 1.181 245 A CA 1.651 53.829 52.037 0.235 0.000 0.620 245 A CB -0.671 18.494 19.000 0.275 0.000 0.819 245 A HN 0.354 nan 8.150 nan 0.000 0.442 246 A N -0.271 122.690 122.820 0.234 0.000 1.877 246 A HA -0.141 4.181 4.320 0.003 0.000 0.216 246 A C 1.954 179.603 177.584 0.109 0.000 1.186 246 A CA 2.125 54.294 52.037 0.220 0.000 0.620 246 A CB -0.542 18.580 19.000 0.203 0.000 0.822 246 A HN 0.508 nan 8.150 nan 0.000 0.443 247 E N 0.810 121.043 120.200 0.055 0.000 2.033 247 E HA -0.217 4.135 4.350 0.003 0.000 0.199 247 E C 1.507 178.128 176.600 0.035 0.000 1.011 247 E CA 1.950 58.366 56.400 0.027 0.000 0.815 247 E CB -0.342 29.367 29.700 0.014 0.000 0.755 247 E HN 0.586 nan 8.360 nan 0.000 0.451 248 D N -0.697 119.728 120.400 0.041 0.000 2.178 248 D HA -0.168 4.474 4.640 0.003 0.000 0.201 248 D C 2.036 178.329 176.300 -0.012 0.000 0.980 248 D CA 1.040 55.058 54.000 0.030 0.000 0.842 248 D CB -0.135 40.697 40.800 0.053 0.000 0.948 248 D HN 0.037 nan 8.370 nan 0.000 0.472 249 R N 1.520 121.965 120.500 -0.093 0.000 2.093 249 R HA -0.041 4.301 4.340 0.003 0.000 0.224 249 R C 1.906 178.121 176.300 -0.141 0.000 1.101 249 R CA 0.999 56.924 56.100 -0.292 0.000 0.979 249 R CB -0.330 29.400 30.300 -0.951 0.000 0.877 249 R HN -0.116 nan 8.270 nan 0.000 0.441 250 K N 0.574 120.966 120.400 -0.013 0.000 2.057 250 K HA -0.121 4.200 4.320 0.003 0.000 0.207 250 K C 1.266 177.917 176.600 0.084 0.000 1.049 250 K CA 1.809 58.143 56.287 0.078 0.000 0.931 250 K CB -0.307 32.282 32.500 0.148 0.000 0.714 250 K HN 0.153 nan 8.250 nan 0.000 0.440 251 N N 0.352 119.098 118.700 0.077 0.000 2.104 251 N HA -0.129 4.613 4.740 0.003 0.000 0.190 251 N C 1.694 177.302 175.510 0.163 0.000 1.024 251 N CA 2.317 55.441 53.050 0.122 0.000 0.853 251 N CB -0.677 37.859 38.487 0.083 0.000 1.008 251 N HN 0.468 nan 8.380 nan 0.000 0.424 252 T N -2.097 112.515 114.554 0.097 0.000 2.951 252 T HA 0.024 4.376 4.350 0.003 0.000 0.268 252 T C 2.043 176.836 174.700 0.155 0.000 1.073 252 T CA 0.626 62.800 62.100 0.123 0.000 1.134 252 T CB -0.621 68.275 68.868 0.047 0.000 0.884 252 T HN -0.081 nan 8.240 nan 0.000 0.479 253 V N 1.770 121.740 119.914 0.093 0.000 2.307 253 V HA -0.066 4.055 4.120 0.003 0.000 0.245 253 V C 2.694 178.847 176.094 0.098 0.000 1.045 253 V CA 1.364 63.712 62.300 0.080 0.000 1.024 253 V CB -0.794 31.057 31.823 0.046 0.000 0.651 253 V HN 0.429 nan 8.190 nan 0.000 0.449 254 L N -0.991 120.321 121.223 0.149 0.000 2.012 254 L HA -0.254 4.088 4.340 0.003 0.000 0.210 254 L C 2.513 179.377 176.870 -0.011 0.000 1.073 254 L CA 2.346 57.289 54.840 0.171 0.000 0.748 254 L CB -0.815 41.477 42.059 0.388 0.000 0.891 254 L HN 0.442 nan 8.230 nan 0.000 0.431 255 Y N 0.744 121.039 120.300 -0.009 0.000 2.165 255 Y HA -0.159 4.393 4.550 0.003 0.000 0.286 255 Y C 1.455 177.246 175.900 -0.181 0.000 1.155 255 Y CA 0.807 58.798 58.100 -0.182 0.000 1.164 255 Y CB -0.101 38.366 38.460 0.012 0.000 0.978 255 Y HN -0.053 nan 8.280 nan 0.000 0.513 259 Y N 1.879 121.705 120.300 -0.790 0.000 2.193 259 Y HA -0.167 4.384 4.550 0.003 0.000 0.285 259 Y C 1.466 176.978 175.900 -0.648 0.000 1.166 259 Y CA 2.402 60.017 58.100 -0.808 0.000 1.181 259 Y CB -0.147 37.699 38.460 -1.023 0.000 0.976 259 Y HN 0.447 nan 8.280 nan 0.000 0.520 260 H N 0.490 119.356 119.070 -0.340 0.000 2.524 260 H HA 0.173 4.731 4.556 0.003 0.000 0.280 260 H C 0.642 175.808 175.328 -0.271 0.000 1.018 260 H CA 0.362 56.231 56.048 -0.299 0.000 1.165 260 H CB -0.021 29.663 29.762 -0.132 0.000 1.411 260 H HN 0.339 nan 8.280 nan 0.000 0.569 261 K N 0.273 120.517 120.400 -0.259 0.000 3.160 261 K HA -0.199 4.123 4.320 0.003 0.000 0.280 261 K C 1.206 177.742 176.600 -0.107 0.000 1.154 261 K CA 0.137 56.296 56.287 -0.213 0.000 0.822 261 K CB -0.370 32.019 32.500 -0.186 0.000 1.239 261 K HN 0.153 nan 8.250 nan 0.000 0.489 262 R N 0.221 120.677 120.500 -0.073 0.000 2.240 262 R HA 0.125 4.467 4.340 0.003 0.000 0.203 262 R C 1.204 177.498 176.300 -0.009 0.000 1.011 262 R CA 1.019 57.103 56.100 -0.027 0.000 1.007 262 R CB -0.152 30.146 30.300 -0.002 0.000 0.911 262 R HN 0.557 nan 8.270 nan 0.000 0.468 263 I N -2.963 117.601 120.570 -0.011 0.000 2.894 263 I HA 0.358 4.529 4.170 0.003 0.000 0.302 263 I C 0.095 176.264 176.117 0.088 0.000 1.188 263 I CA -1.147 60.183 61.300 0.049 0.000 1.014 263 I CB 2.207 40.263 38.000 0.093 0.000 1.242 263 I HN -0.191 nan 8.210 nan 0.000 0.430 264 T N -0.882 113.743 114.554 0.118 0.000 2.788 264 T HA 0.203 4.555 4.350 0.003 0.000 0.287 264 T C 0.524 175.390 174.700 0.276 0.000 1.007 264 T CA 0.117 62.304 62.100 0.144 0.000 1.005 264 T CB 0.966 69.892 68.868 0.098 0.000 1.012 264 T HN 0.683 nan 8.240 nan 0.000 0.530 265 D N -0.206 120.362 120.400 0.280 0.000 2.123 265 D HA -0.071 4.571 4.640 0.003 0.000 0.196 265 D C 1.955 178.382 176.300 0.211 0.000 0.992 265 D CA 1.312 55.510 54.000 0.331 0.000 0.833 265 D CB -0.148 40.800 40.800 0.246 0.000 0.954 265 D HN 0.678 nan 8.370 nan 0.000 0.455 266 K N 0.407 120.890 120.400 0.138 0.000 1.984 266 K HA -0.157 4.164 4.320 0.003 0.000 0.209 266 K C 2.103 178.751 176.600 0.080 0.000 1.046 266 K CA 1.257 57.591 56.287 0.077 0.000 0.934 266 K CB -0.014 32.520 32.500 0.056 0.000 0.717 266 K HN 0.234 nan 8.250 nan 0.000 0.438 267 Q N -0.751 119.117 119.800 0.114 0.000 2.297 267 Q HA -0.176 4.166 4.340 0.003 0.000 0.204 267 Q C 1.883 177.989 176.000 0.176 0.000 0.962 267 Q CA 0.962 56.831 55.803 0.111 0.000 0.879 267 Q CB -0.400 28.396 28.738 0.097 0.000 0.947 267 Q HN 0.459 nan 8.270 nan 0.000 0.462 268 W N 2.565 123.882 121.300 0.028 0.000 2.407 268 W HA -0.034 4.628 4.660 0.003 0.000 0.305 268 W C 1.840 178.347 176.519 -0.020 0.000 1.196 268 W CA 1.482 58.833 57.345 0.011 0.000 1.311 268 W CB -0.169 29.291 29.460 0.001 0.000 1.135 268 W HN 0.166 nan 8.180 nan 0.000 0.514 269 E N -0.475 119.601 120.200 -0.207 0.000 2.268 269 E HA -0.180 4.172 4.350 0.003 0.000 0.195 269 E C 1.321 177.806 176.600 -0.193 0.000 0.995 269 E CA 1.165 57.345 56.400 -0.367 0.000 0.836 269 E CB -0.211 29.328 29.700 -0.268 0.000 0.763 269 E HN 0.294 nan 8.360 nan 0.000 0.491 270 D N -0.729 119.623 120.400 -0.080 0.000 2.305 270 D HA 0.017 4.659 4.640 0.003 0.000 0.206 270 D C 1.524 177.806 176.300 -0.030 0.000 0.974 270 D CA 0.494 54.467 54.000 -0.045 0.000 0.871 270 D CB 0.459 41.253 40.800 -0.010 0.000 0.947 270 D HN 0.162 nan 8.370 nan 0.000 0.516 271 A N 1.934 124.752 122.820 -0.003 0.000 1.903 271 A HA -0.116 4.205 4.320 0.003 0.000 0.213 271 A C 2.062 179.646 177.584 0.000 0.000 1.185 271 A CA 0.803 52.858 52.037 0.030 0.000 0.628 271 A CB -0.247 18.823 19.000 0.116 0.000 0.830 271 A HN 0.157 nan 8.150 nan 0.000 0.446 272 K N 0.219 120.583 120.400 -0.059 0.000 2.362 272 K HA -0.051 4.271 4.320 0.003 0.000 0.200 272 K C 0.306 176.859 176.600 -0.078 0.000 1.046 272 K CA 1.107 57.350 56.287 -0.074 0.000 0.952 272 K CB -0.160 32.224 32.500 -0.194 0.000 0.753 272 K HN 0.282 nan 8.250 nan 0.000 0.466 273 K N 1.496 121.845 120.400 -0.086 0.000 2.994 273 K HA 0.302 4.624 4.320 0.003 0.000 0.231 273 K C -0.548 176.025 176.600 -0.045 0.000 1.174 273 K CA -0.055 56.191 56.287 -0.069 0.000 1.221 273 K CB 0.058 32.511 32.500 -0.078 0.000 1.166 273 K HN 0.164 nan 8.250 nan 0.000 0.453 274 I N 0.236 120.785 120.570 -0.035 0.000 2.509 274 I HA 0.123 4.295 4.170 0.003 0.000 0.293 274 I C -0.349 175.752 176.117 -0.027 0.000 1.020 274 I CA -1.064 60.219 61.300 -0.029 0.000 1.088 274 I CB 1.980 39.965 38.000 -0.026 0.000 1.267 274 I HN 0.030 nan 8.210 nan 0.000 0.430 275 D N 4.507 124.892 120.400 -0.026 0.000 2.343 275 D HA 0.063 4.704 4.640 0.003 0.000 0.255 275 D C 0.612 176.897 176.300 -0.025 0.000 1.187 275 D CA -0.130 53.854 54.000 -0.025 0.000 0.875 275 D CB 1.464 42.252 40.800 -0.021 0.000 1.136 275 D HN 0.361 nan 8.370 nan 0.000 0.469 276 L N 5.299 126.501 121.223 -0.035 0.000 2.093 276 L HA -0.088 4.254 4.340 0.003 0.000 0.208 276 L C 1.793 178.669 176.870 0.011 0.000 1.085 276 L CA 1.722 56.539 54.840 -0.037 0.000 0.755 276 L CB -0.319 41.676 42.059 -0.105 0.000 0.904 276 L HN 0.399 nan 8.230 nan 0.000 0.435 277 K N -0.102 120.280 120.400 -0.031 0.000 2.585 277 K HA -0.029 4.293 4.320 0.003 0.000 0.194 277 K C 1.865 178.481 176.600 0.027 0.000 1.037 277 K CA 0.456 56.728 56.287 -0.025 0.000 0.964 277 K CB -0.402 32.069 32.500 -0.049 0.000 0.787 277 K HN 0.457 nan 8.250 nan 0.000 0.488 278 A N 2.946 125.789 122.820 0.038 0.000 1.970 278 A HA -0.281 4.041 4.320 0.003 0.000 0.227 278 A C 1.605 179.228 177.584 0.065 0.000 1.568 278 A CA 2.260 54.318 52.037 0.036 0.000 0.813 278 A CB -0.581 18.425 19.000 0.011 0.000 0.833 278 A HN 0.385 nan 8.150 nan 0.000 0.492 279 N N -0.403 118.377 118.700 0.133 0.000 2.635 279 N HA 0.272 5.014 4.740 0.003 0.000 0.307 279 N C -0.762 174.884 175.510 0.227 0.000 1.433 279 N CA -0.460 52.682 53.050 0.154 0.000 0.973 279 N CB -0.363 38.206 38.487 0.138 0.000 1.304 279 N HN 0.367 nan 8.380 nan 0.000 0.507 280 L N 0.965 122.260 121.223 0.119 0.000 2.361 280 L HA 0.302 4.643 4.340 0.003 0.000 0.278 280 L C -0.122 176.712 176.870 -0.060 0.000 1.113 280 L CA -0.153 54.640 54.840 -0.078 0.000 0.849 280 L CB 0.772 42.728 42.059 -0.171 0.000 1.155 280 L HN -0.055 nan 8.230 nan 0.000 0.452 281 V N 6.846 126.705 119.914 -0.091 0.000 2.521 281 V HA 0.197 4.319 4.120 0.003 0.000 0.286 281 V C 0.237 176.353 176.094 0.037 0.000 1.034 281 V CA -0.302 61.976 62.300 -0.036 0.000 1.045 281 V CB 0.267 32.044 31.823 -0.076 0.000 0.974 281 V HN 0.965 nan 8.190 nan 0.000 0.480 282 N N 6.357 125.080 118.700 0.037 0.000 2.530 282 N HA 0.518 5.260 4.740 0.003 0.000 0.273 282 N C -0.251 175.272 175.510 0.022 0.000 1.173 282 N CA 0.029 53.124 53.050 0.075 0.000 0.967 282 N CB 0.800 39.309 38.487 0.036 0.000 1.109 282 N HN 0.724 nan 8.380 nan 0.000 0.453 283 R N -0.897 119.603 120.500 0.000 0.000 2.733 283 R HA 0.494 4.836 4.340 0.003 0.000 0.272 283 R C -0.988 175.218 176.300 -0.156 0.000 1.029 283 R CA -0.701 55.305 56.100 -0.156 0.000 0.888 283 R CB 1.550 31.614 30.300 -0.393 0.000 1.251 283 R HN 0.724 nan 8.270 nan 0.000 0.464 284 T N -2.061 112.401 114.554 -0.154 0.000 2.907 284 T HA 0.398 4.750 4.350 0.003 0.000 0.292 284 T C -2.263 172.365 174.700 -0.119 0.000 1.043 284 T CA -1.963 60.074 62.100 -0.106 0.000 1.003 284 T CB 2.247 71.079 68.868 -0.059 0.000 1.084 284 T HN 0.164 nan 8.240 nan 0.000 0.483 285 P HA -0.192 nan 4.420 nan 0.000 0.218 285 P C 1.396 178.669 177.300 -0.045 0.000 1.165 285 P CA 1.339 64.407 63.100 -0.054 0.000 0.922 285 P CB 0.108 31.793 31.700 -0.025 0.000 0.794 286 E N -0.821 119.357 120.200 -0.038 0.000 2.347 286 E HA -0.152 4.200 4.350 0.003 0.000 0.196 286 E C 1.770 178.351 176.600 -0.032 0.000 1.008 286 E CA 0.678 57.061 56.400 -0.029 0.000 0.852 286 E CB -0.129 29.556 29.700 -0.024 0.000 0.783 286 E HN 0.483 nan 8.360 nan 0.000 0.505 287 E N 0.148 120.320 120.200 -0.046 0.000 2.158 287 E HA -0.080 4.271 4.350 0.003 0.000 0.191 287 E C 1.818 178.400 176.600 -0.030 0.000 0.982 287 E CA 0.520 56.895 56.400 -0.042 0.000 0.823 287 E CB 0.090 29.754 29.700 -0.059 0.000 0.766 287 E HN 0.091 nan 8.360 nan 0.000 0.468 288 R N 0.373 120.848 120.500 -0.042 0.000 2.276 288 R HA 0.020 4.362 4.340 0.003 0.000 0.196 288 R C 1.336 177.631 176.300 -0.009 0.000 0.961 288 R CA 0.542 56.634 56.100 -0.013 0.000 1.024 288 R CB 0.179 30.457 30.300 -0.036 0.000 0.940 288 R HN 0.151 nan 8.270 nan 0.000 0.480 289 Q N -0.137 119.656 119.800 -0.012 0.000 2.247 289 Q HA 0.070 4.412 4.340 0.003 0.000 0.211 289 Q C -0.173 175.819 176.000 -0.013 0.000 0.861 289 Q CA -0.139 55.660 55.803 -0.007 0.000 0.949 289 Q CB 0.496 29.233 28.738 -0.002 0.000 1.115 289 Q HN 0.026 nan 8.270 nan 0.000 0.507 290 N N 1.939 120.629 118.700 -0.017 0.000 2.968 290 N HA 0.069 4.811 4.740 0.003 0.000 0.271 290 N C -0.815 174.684 175.510 -0.018 0.000 1.174 290 N CA -0.144 52.895 53.050 -0.018 0.000 1.096 290 N CB 0.089 38.565 38.487 -0.019 0.000 1.403 290 N HN 0.279 nan 8.380 nan 0.000 0.522 291 I N 1.499 122.057 120.570 -0.021 0.000 2.755 291 I HA -0.047 4.125 4.170 0.003 0.000 0.303 291 I C -0.182 175.924 176.117 -0.019 0.000 1.168 291 I CA -0.015 61.271 61.300 -0.022 0.000 1.588 291 I CB -0.182 37.804 38.000 -0.022 0.000 1.509 291 I HN 0.337 nan 8.210 nan 0.000 0.734 292 D N 5.405 125.796 120.400 -0.016 0.000 2.402 292 D HA 0.010 4.652 4.640 0.003 0.000 0.235 292 D C 1.205 177.497 176.300 -0.013 0.000 1.226 292 D CA -0.177 53.813 54.000 -0.016 0.000 0.918 292 D CB 0.767 41.559 40.800 -0.014 0.000 1.043 292 D HN 0.602 nan 8.370 nan 0.000 0.506 293 T N 0.546 115.090 114.554 -0.017 0.000 3.272 293 T HA 0.089 4.441 4.350 0.003 0.000 0.250 293 T C 0.619 175.311 174.700 -0.014 0.000 1.082 293 T CA -0.604 61.487 62.100 -0.015 0.000 0.968 293 T CB -0.352 68.504 68.868 -0.020 0.000 1.015 293 T HN 0.192 nan 8.240 nan 0.000 0.563 294 N N 1.290 119.982 118.700 -0.014 0.000 2.703 294 N HA 0.184 4.926 4.740 0.003 0.000 0.283 294 N C -0.834 174.669 175.510 -0.011 0.000 1.851 294 N CA -0.459 52.583 53.050 -0.013 0.000 0.826 294 N CB 0.670 39.142 38.487 -0.025 0.000 1.239 294 N HN 0.427 nan 8.380 nan 0.000 0.495 295 Q N 0.129 119.929 119.800 -0.001 0.000 2.214 295 Q HA 0.293 4.635 4.340 0.003 0.000 0.251 295 Q C -0.538 175.461 176.000 -0.001 0.000 0.936 295 Q CA -0.739 55.061 55.803 -0.004 0.000 0.894 295 Q CB 1.167 29.907 28.738 0.003 0.000 1.252 295 Q HN 0.311 nan 8.270 nan 0.000 0.448 296 D N 1.194 121.568 120.400 -0.042 0.000 2.701 296 D HA -0.164 4.478 4.640 0.003 0.000 0.235 296 D C 0.685 176.880 176.300 -0.176 0.000 1.155 296 D CA 1.167 55.083 54.000 -0.139 0.000 0.649 296 D CB -1.145 39.646 40.800 -0.015 0.000 1.050 296 D HN 0.749 nan 8.370 nan 0.000 0.425 297 S N -0.357 115.282 115.700 -0.101 0.000 2.537 297 S HA -0.206 4.266 4.470 0.003 0.000 0.240 297 S C 1.700 176.268 174.600 -0.052 0.000 0.981 297 S CA 1.000 59.179 58.200 -0.035 0.000 0.948 297 S CB 0.041 63.229 63.200 -0.019 0.000 0.759 297 S HN 0.554 nan 8.310 nan 0.000 0.531 298 E N 0.977 121.049 120.200 -0.213 0.000 2.268 298 E HA -0.211 4.141 4.350 0.003 0.000 0.195 298 E C 1.090 177.616 176.600 -0.124 0.000 0.995 298 E CA 1.029 57.292 56.400 -0.228 0.000 0.836 298 E CB -0.723 28.763 29.700 -0.357 0.000 0.763 298 E HN 0.862 nan 8.360 nan 0.000 0.491 299 Y N 0.861 121.195 120.300 0.057 0.000 2.500 299 Y HA 0.077 4.628 4.550 0.003 0.000 0.270 299 Y C 1.927 177.904 175.900 0.128 0.000 1.134 299 Y CA -0.095 58.050 58.100 0.076 0.000 1.293 299 Y CB 0.014 38.499 38.460 0.041 0.000 1.063 299 Y HN -0.016 nan 8.280 nan 0.000 0.534 300 N N 0.620 119.490 118.700 0.284 0.000 2.064 300 N HA -0.245 4.497 4.740 0.003 0.000 0.200 300 N C 1.834 177.586 175.510 0.404 0.000 1.028 300 N CA 2.344 55.602 53.050 0.347 0.000 0.880 300 N CB -0.699 38.027 38.487 0.399 0.000 1.062 300 N HN 0.221 nan 8.380 nan 0.000 0.454 301 S N -0.723 115.074 115.700 0.162 0.000 2.383 301 S HA -0.120 4.352 4.470 0.003 0.000 0.227 301 S C 1.869 176.441 174.600 -0.048 0.000 1.026 301 S CA 0.681 58.695 58.200 -0.309 0.000 0.981 301 S CB -0.586 62.178 63.200 -0.728 0.000 0.818 301 S HN 0.442 nan 8.310 nan 0.000 0.472 302 Y N 2.736 123.046 120.300 0.017 0.000 2.274 302 Y HA -0.114 4.438 4.550 0.003 0.000 0.290 302 Y C 2.166 178.107 175.900 0.068 0.000 1.145 302 Y CA 0.688 58.800 58.100 0.019 0.000 1.203 302 Y CB -0.382 38.080 38.460 0.004 0.000 0.984 302 Y HN 0.045 nan 8.280 nan 0.000 0.533 303 V N 1.148 121.191 119.914 0.215 0.000 2.358 303 V HA -0.318 3.804 4.120 0.003 0.000 0.246 303 V C 2.419 178.579 176.094 0.109 0.000 1.047 303 V CA 2.064 64.459 62.300 0.159 0.000 1.035 303 V CB -0.906 31.014 31.823 0.162 0.000 0.658 303 V HN 0.600 nan 8.190 nan 0.000 0.452 304 N N 0.018 118.800 118.700 0.137 0.000 2.396 304 N HA -0.188 4.554 4.740 0.003 0.000 0.180 304 N C 1.778 177.313 175.510 0.041 0.000 1.028 304 N CA 1.248 54.371 53.050 0.122 0.000 0.893 304 N CB -0.295 38.348 38.487 0.260 0.000 0.967 304 N HN 0.434 nan 8.380 nan 0.000 0.440 305 F N 1.271 121.140 119.950 -0.135 0.000 2.259 305 F HA -0.002 4.527 4.527 0.003 0.000 0.298 305 F C 2.195 177.888 175.800 -0.177 0.000 1.088 305 F CA 0.613 58.495 58.000 -0.197 0.000 1.358 305 F CB -0.094 38.693 39.000 -0.355 0.000 1.040 305 F HN -0.136 nan 8.300 nan 0.000 0.505 306 V N 0.225 120.185 119.914 0.077 0.000 2.237 306 V HA -0.336 3.785 4.120 0.003 0.000 0.245 306 V C 2.331 178.415 176.094 -0.018 0.000 1.046 306 V CA 2.174 64.498 62.300 0.040 0.000 1.007 306 V CB -0.899 30.953 31.823 0.047 0.000 0.638 306 V HN 0.179 nan 8.190 nan 0.000 0.445 307 K N 0.271 120.657 120.400 -0.022 0.000 2.107 307 K HA -0.272 4.050 4.320 0.003 0.000 0.211 307 K C 2.555 179.112 176.600 -0.070 0.000 1.049 307 K CA 2.044 58.304 56.287 -0.046 0.000 0.927 307 K CB -0.437 32.050 32.500 -0.022 0.000 0.714 307 K HN 0.454 nan 8.250 nan 0.000 0.452 308 S N 0.551 116.181 115.700 -0.116 0.000 2.345 308 S HA -0.191 4.281 4.470 0.003 0.000 0.220 308 S C 1.978 176.514 174.600 -0.106 0.000 1.031 308 S CA 1.475 59.581 58.200 -0.158 0.000 0.996 308 S CB -0.120 62.886 63.200 -0.323 0.000 0.882 308 S HN 0.346 nan 8.310 nan 0.000 0.445 309 E N -0.133 120.007 120.200 -0.100 0.000 2.204 309 E HA -0.047 4.305 4.350 0.003 0.000 0.194 309 E C 0.915 177.588 176.600 0.122 0.000 0.989 309 E CA 0.082 56.500 56.400 0.030 0.000 0.824 309 E CB -0.140 29.614 29.700 0.089 0.000 0.756 309 E HN 0.403 nan 8.360 nan 0.000 0.477 313 N N 0.924 119.710 118.700 0.142 0.000 2.516 313 N HA 0.099 4.841 4.740 0.003 0.000 0.268 313 N C 0.929 176.442 175.510 0.004 0.000 1.096 313 N CA -0.371 52.681 53.050 0.003 0.000 0.954 313 N CB 2.063 40.413 38.487 -0.230 0.000 1.676 313 N HN 0.033 nan 8.380 nan 0.000 0.490 314 K N 3.486 123.845 120.400 -0.068 0.000 2.056 314 K HA -0.252 4.070 4.320 0.003 0.000 0.225 314 K C 1.505 178.039 176.600 -0.110 0.000 1.053 314 K CA 3.166 59.407 56.287 -0.077 0.000 0.966 314 K CB -1.134 31.304 32.500 -0.102 0.000 0.735 314 K HN 0.601 nan 8.250 nan 0.000 0.455 315 A N -0.859 121.822 122.820 -0.230 0.000 2.032 315 A HA 0.004 4.326 4.320 0.003 0.000 0.221 315 A C 1.449 178.699 177.584 -0.556 0.000 1.165 315 A CA 1.633 53.408 52.037 -0.437 0.000 0.645 315 A CB -0.567 18.051 19.000 -0.637 0.000 0.807 315 A HN 0.372 nan 8.150 nan 0.000 0.453 316 F N -3.091 116.870 119.950 0.017 0.000 2.893 316 F HA 0.420 4.949 4.527 0.003 0.000 0.152 316 F C 1.638 177.452 175.800 0.024 0.000 1.391 316 F CA -0.070 57.952 58.000 0.037 0.000 0.935 316 F CB -0.411 38.631 39.000 0.070 0.000 2.055 316 F HN 0.072 nan 8.300 nan 0.000 0.498 317 K N 0.109 120.666 120.400 0.262 0.000 9.851 317 K HA -0.400 3.921 4.320 0.003 0.000 0.510 317 K C 1.099 177.755 176.600 0.093 0.000 0.393 317 K CA 2.509 58.876 56.287 0.134 0.000 1.926 317 K CB -1.661 30.895 32.500 0.094 0.000 0.782 317 K HN 0.577 nan 8.250 nan 0.000 1.104 318 D N 1.262 121.707 120.400 0.076 0.000 2.280 318 D HA -0.117 4.525 4.640 0.003 0.000 0.206 318 D C 0.510 176.852 176.300 0.071 0.000 0.988 318 D CA 1.559 55.593 54.000 0.056 0.000 0.886 318 D CB 0.005 40.825 40.800 0.035 0.000 0.914 318 D HN 0.472 nan 8.370 nan 0.000 0.473 319 E N -0.134 120.133 120.200 0.112 0.000 2.285 319 E HA 0.204 4.556 4.350 0.003 0.000 0.254 319 E C -0.277 176.378 176.600 0.092 0.000 1.011 319 E CA -0.774 55.698 56.400 0.119 0.000 0.873 319 E CB 0.960 30.780 29.700 0.200 0.000 1.229 319 E HN -0.032 nan 8.360 nan 0.000 0.422 320 N N 1.668 120.414 118.700 0.076 0.000 2.485 320 N HA 0.030 4.771 4.740 0.003 0.000 0.243 320 N C 0.869 176.398 175.510 0.031 0.000 0.987 320 N CA -0.195 52.882 53.050 0.045 0.000 0.940 320 N CB 0.845 39.354 38.487 0.036 0.000 1.122 320 N HN 0.382 nan 8.380 nan 0.000 0.509 321 L N 5.785 127.015 121.223 0.011 0.000 1.997 321 L HA -0.184 4.158 4.340 0.003 0.000 0.227 321 L C 2.174 179.034 176.870 -0.018 0.000 1.087 321 L CA 2.656 57.483 54.840 -0.021 0.000 0.797 321 L CB -1.125 40.919 42.059 -0.025 0.000 0.902 321 L HN 0.725 nan 8.230 nan 0.000 0.441 322 G N -1.601 107.194 108.800 -0.008 0.000 2.550 322 G HA2 -0.385 3.577 3.960 0.003 0.000 0.222 322 G HA3 -0.385 3.577 3.960 0.003 0.000 0.222 322 G C 1.347 176.247 174.900 0.000 0.000 1.113 322 G CA 1.432 46.528 45.100 -0.006 0.000 0.748 322 G HN 0.663 nan 8.290 nan 0.000 0.585 323 N N -0.711 117.996 118.700 0.012 0.000 2.197 323 N HA 0.009 4.751 4.740 0.003 0.000 0.184 323 N C 2.130 177.657 175.510 0.029 0.000 1.030 323 N CA 0.656 53.722 53.050 0.025 0.000 0.851 323 N CB -0.107 38.405 38.487 0.041 0.000 1.003 323 N HN 0.105 nan 8.380 nan 0.000 0.430 324 V N 1.548 121.476 119.914 0.023 0.000 2.392 324 V HA -0.171 3.951 4.120 0.003 0.000 0.249 324 V C 1.890 177.974 176.094 -0.015 0.000 1.059 324 V CA 1.436 63.743 62.300 0.013 0.000 1.051 324 V CB -0.408 31.362 31.823 -0.088 0.000 0.658 324 V HN 0.327 nan 8.190 nan 0.000 0.455 325 L N -0.532 120.672 121.223 -0.032 0.000 2.362 325 L HA -0.105 4.237 4.340 0.003 0.000 0.219 325 L C 1.918 178.789 176.870 0.002 0.000 1.134 325 L CA 0.885 55.710 54.840 -0.025 0.000 0.807 325 L CB -0.283 41.759 42.059 -0.028 0.000 0.927 325 L HN 0.369 nan 8.230 nan 0.000 0.447 326 Q N -1.057 118.751 119.800 0.013 0.000 2.179 326 Q HA 0.123 4.465 4.340 0.003 0.000 0.213 326 Q C 1.380 177.402 176.000 0.036 0.000 0.833 326 Q CA 0.248 56.065 55.803 0.024 0.000 0.990 326 Q CB 0.811 29.559 28.738 0.016 0.000 1.132 326 Q HN 0.421 nan 8.270 nan 0.000 0.493 327 S N -1.459 114.271 115.700 0.050 0.000 2.582 327 S HA 0.397 4.869 4.470 0.003 0.000 0.234 327 S C 1.153 175.806 174.600 0.088 0.000 0.961 327 S CA 0.118 58.361 58.200 0.071 0.000 0.953 327 S CB 0.386 63.642 63.200 0.094 0.000 0.800 327 S HN 0.358 nan 8.310 nan 0.000 0.471 328 G N 2.104 110.952 108.800 0.080 0.000 2.137 328 G HA2 -0.250 3.712 3.960 0.003 0.000 0.237 328 G HA3 -0.250 3.712 3.960 0.003 0.000 0.237 328 G C 0.055 175.021 174.900 0.109 0.000 1.002 328 G CA 0.080 45.238 45.100 0.097 0.000 0.702 328 G HN 1.023 nan 8.290 nan 0.000 0.515 329 I N -2.838 117.793 120.570 0.102 0.000 3.079 329 I HA 0.749 4.920 4.170 0.003 0.000 0.295 329 I C 0.161 176.346 176.117 0.114 0.000 1.094 329 I CA -0.548 60.827 61.300 0.125 0.000 1.295 329 I CB 0.884 38.954 38.000 0.117 0.000 1.443 329 I HN -0.052 nan 8.210 nan 0.000 0.607 330 K N 5.142 125.625 120.400 0.139 0.000 2.656 330 K HA 0.519 4.841 4.320 0.003 0.000 0.241 330 K C -1.267 175.362 176.600 0.048 0.000 0.967 330 K CA -0.432 55.925 56.287 0.117 0.000 0.946 330 K CB 1.758 34.353 32.500 0.157 0.000 1.164 330 K HN 0.558 nan 8.250 nan 0.000 0.459 331 I N 3.040 123.597 120.570 -0.022 0.000 2.396 331 I HA 0.243 4.415 4.170 0.003 0.000 0.292 331 I C -0.606 175.421 176.117 -0.150 0.000 0.999 331 I CA -0.706 60.581 61.300 -0.021 0.000 1.310 331 I CB 0.465 38.451 38.000 -0.023 0.000 1.404 331 I HN 0.381 nan 8.210 nan 0.000 0.496 332 Y N 3.600 123.948 120.300 0.081 0.000 2.328 332 Y HA 0.357 4.909 4.550 0.003 0.000 0.336 332 Y C 0.731 176.662 175.900 0.053 0.000 0.960 332 Y CA -0.742 57.404 58.100 0.077 0.000 1.134 332 Y CB 1.925 40.383 38.460 -0.002 0.000 1.166 332 Y HN 0.567 nan 8.280 nan 0.000 0.464 333 T N -0.584 114.060 114.554 0.150 0.000 2.937 333 T HA 0.552 4.903 4.350 0.003 0.000 0.283 333 T C -0.071 174.671 174.700 0.070 0.000 1.012 333 T CA -0.936 61.238 62.100 0.124 0.000 0.997 333 T CB 1.129 70.091 68.868 0.155 0.000 1.136 333 T HN 0.576 nan 8.240 nan 0.000 0.551 337 K N 1.768 122.114 120.400 -0.090 0.000 2.127 337 K HA -0.331 3.990 4.320 0.003 0.000 0.222 337 K C 0.579 177.207 176.600 0.047 0.000 1.034 337 K CA 2.797 59.104 56.287 0.033 0.000 0.955 337 K CB -0.141 32.383 32.500 0.039 0.000 0.786 337 K HN 0.534 nan 8.250 nan 0.000 0.465 338 D N -0.454 119.949 120.400 0.005 0.000 2.123 338 D HA -0.082 4.560 4.640 0.003 0.000 0.200 338 D C 1.888 178.168 176.300 -0.034 0.000 0.976 338 D CA 0.933 54.929 54.000 -0.006 0.000 0.831 338 D CB 0.114 40.911 40.800 -0.005 0.000 0.974 338 D HN -0.029 nan 8.370 nan 0.000 0.469 339 V N 0.732 120.611 119.914 -0.058 0.000 2.324 339 V HA -0.298 3.823 4.120 0.003 0.000 0.250 339 V C 2.363 178.411 176.094 -0.078 0.000 1.060 339 V CA 1.748 63.980 62.300 -0.113 0.000 1.042 339 V CB -0.547 31.160 31.823 -0.193 0.000 0.650 339 V HN 0.169 nan 8.190 nan 0.000 0.450 340 Q N 0.369 120.149 119.800 -0.034 0.000 2.046 340 Q HA -0.165 4.177 4.340 0.003 0.000 0.200 340 Q C 2.168 178.165 176.000 -0.005 0.000 0.975 340 Q CA 1.802 57.612 55.803 0.012 0.000 0.836 340 Q CB -0.236 28.558 28.738 0.094 0.000 0.896 340 Q HN 0.588 nan 8.270 nan 0.000 0.428 341 K N -0.661 119.728 120.400 -0.019 0.000 1.978 341 K HA -0.138 4.183 4.320 0.003 0.000 0.214 341 K C 2.236 178.806 176.600 -0.049 0.000 1.049 341 K CA 1.857 58.103 56.287 -0.068 0.000 0.939 341 K CB -0.599 31.861 32.500 -0.067 0.000 0.721 341 K HN 0.210 nan 8.250 nan 0.000 0.441 342 T N 1.896 116.425 114.554 -0.042 0.000 2.653 342 T HA -0.220 4.131 4.350 0.003 0.000 0.267 342 T C 1.707 176.390 174.700 -0.028 0.000 1.037 342 T CA 1.841 63.918 62.100 -0.039 0.000 1.159 342 T CB -0.321 68.514 68.868 -0.055 0.000 0.859 342 T HN 0.121 nan 8.240 nan 0.000 0.449 343 L N 0.703 121.906 121.223 -0.034 0.000 2.005 343 L HA 0.011 4.353 4.340 0.003 0.000 0.207 343 L C 2.472 179.349 176.870 0.013 0.000 1.072 343 L CA 1.871 56.701 54.840 -0.018 0.000 0.744 343 L CB -0.811 41.229 42.059 -0.032 0.000 0.895 343 L HN 0.108 nan 8.230 nan 0.000 0.433 344 Q N -0.375 119.426 119.800 0.002 0.000 2.123 344 Q HA -0.156 4.185 4.340 0.003 0.000 0.199 344 Q C 2.010 178.016 176.000 0.010 0.000 0.966 344 Q CA 1.575 57.384 55.803 0.011 0.000 0.845 344 Q CB -0.280 28.454 28.738 -0.006 0.000 0.907 344 Q HN 0.525 nan 8.270 nan 0.000 0.439 345 N N 0.489 119.184 118.700 -0.008 0.000 2.149 345 N HA -0.138 4.604 4.740 0.003 0.000 0.188 345 N C 0.822 176.347 175.510 0.025 0.000 1.019 345 N CA 1.642 54.688 53.050 -0.007 0.000 0.857 345 N CB -0.216 38.259 38.487 -0.020 0.000 0.997 345 N HN 0.316 nan 8.380 nan 0.000 0.426 346 D N -0.915 119.519 120.400 0.056 0.000 2.183 346 D HA 0.030 4.672 4.640 0.003 0.000 0.205 346 D C 1.971 178.394 176.300 0.206 0.000 0.962 346 D CA 0.242 54.315 54.000 0.121 0.000 0.849 346 D CB -0.155 40.720 40.800 0.125 0.000 0.978 346 D HN -0.032 nan 8.370 nan 0.000 0.488 347 V N 1.222 121.249 119.914 0.189 0.000 2.332 347 V HA -0.217 3.905 4.120 0.003 0.000 0.248 347 V C 1.482 177.677 176.094 0.168 0.000 1.055 347 V CA 1.792 64.241 62.300 0.249 0.000 1.038 347 V CB -0.332 31.585 31.823 0.157 0.000 0.651 347 V HN 0.088 nan 8.190 nan 0.000 0.450 348 D N -0.269 120.170 120.400 0.066 0.000 2.249 348 D HA -0.041 4.601 4.640 0.003 0.000 0.205 348 D C 1.717 178.009 176.300 -0.014 0.000 0.962 348 D CA 0.727 54.728 54.000 0.002 0.000 0.860 348 D CB -0.196 40.596 40.800 -0.013 0.000 0.955 348 D HN 0.371 nan 8.370 nan 0.000 0.505 349 N N -0.047 118.644 118.700 -0.014 0.000 2.205 349 N HA 0.111 4.853 4.740 0.003 0.000 0.201 349 N C 0.813 176.230 175.510 -0.154 0.000 1.128 349 N CA 0.033 53.049 53.050 -0.058 0.000 0.867 349 N CB 0.592 39.058 38.487 -0.035 0.000 0.996 349 N HN -0.011 nan 8.380 nan 0.000 0.503 350 G N 0.570 109.202 108.800 -0.281 0.000 2.484 350 G HA2 0.141 4.102 3.960 0.003 0.000 0.235 350 G HA3 0.141 4.102 3.960 0.003 0.000 0.235 350 G C 0.864 175.259 174.900 -0.842 0.000 1.282 350 G CA 0.067 44.538 45.100 -1.050 0.000 0.857 350 G HN 0.235 nan 8.290 nan 0.000 0.571 351 S N 0.357 115.493 115.700 -0.940 0.000 2.540 351 S HA 0.100 4.572 4.470 0.003 0.000 0.222 351 S C 0.987 175.195 174.600 -0.653 0.000 1.008 351 S CA -0.371 57.511 58.200 -0.530 0.000 0.939 351 S CB -0.070 62.962 63.200 -0.280 0.000 0.865 351 S HN 0.676 nan 8.310 nan 0.000 0.499 352 F N 1.501 121.010 119.950 -0.735 0.000 2.798 352 F HA 0.594 5.123 4.527 0.003 0.000 0.324 352 F C -0.781 174.120 175.800 -1.498 0.000 1.210 352 F CA -1.309 56.085 58.000 -1.010 0.000 1.379 352 F CB -1.258 37.273 39.000 -0.782 0.000 1.368 352 F HN -0.004 nan 8.300 nan 0.000 0.565 353 Y N 0.026 119.944 120.300 -0.637 0.000 2.406 353 Y HA 0.343 4.895 4.550 0.003 0.000 0.340 353 Y C 1.084 176.802 175.900 -0.304 0.000 0.975 353 Y CA -2.033 55.768 58.100 -0.499 0.000 1.056 353 Y CB 1.736 40.000 38.460 -0.327 0.000 1.210 353 Y HN 0.013 nan 8.280 nan 0.000 0.448 354 K N 1.845 122.259 120.400 0.023 0.000 2.026 354 K HA -0.123 4.199 4.320 0.003 0.000 0.208 354 K C -0.411 176.273 176.600 0.139 0.000 1.048 354 K CA 1.704 58.102 56.287 0.185 0.000 0.929 354 K CB 0.166 32.898 32.500 0.386 0.000 0.713 354 K HN 0.951 nan 8.250 nan 0.000 0.439 355 N N -2.300 116.489 118.700 0.148 0.000 2.961 355 N HA -0.014 4.727 4.740 0.003 0.000 0.245 355 N C -0.544 174.989 175.510 0.038 0.000 1.404 355 N CA -0.862 52.243 53.050 0.092 0.000 0.880 355 N CB 0.785 39.340 38.487 0.114 0.000 1.461 355 N HN -0.096 nan 8.380 nan 0.000 0.510 356 K N -1.291 119.103 120.400 -0.009 0.000 2.442 356 K HA -0.145 4.177 4.320 0.003 0.000 0.200 356 K C -0.491 176.076 176.600 -0.055 0.000 1.045 356 K CA 1.555 57.801 56.287 -0.068 0.000 0.937 356 K CB -0.260 32.207 32.500 -0.054 0.000 0.757 356 K HN 0.425 nan 8.250 nan 0.000 0.474 357 D N 0.868 121.287 120.400 0.033 0.000 2.339 357 D HA -0.020 4.622 4.640 0.003 0.000 0.217 357 D C 0.024 176.336 176.300 0.019 0.000 1.050 357 D CA 0.340 54.391 54.000 0.085 0.000 0.856 357 D CB 0.219 41.139 40.800 0.201 0.000 0.922 357 D HN 0.329 nan 8.370 nan 0.000 0.518 358 Q N 0.855 120.553 119.800 -0.171 0.000 2.314 358 Q HA 0.208 4.550 4.340 0.003 0.000 0.258 358 Q C -0.467 175.300 176.000 -0.389 0.000 0.954 358 Q CA 0.031 55.459 55.803 -0.625 0.000 0.890 358 Q CB 0.710 29.174 28.738 -0.457 0.000 1.210 358 Q HN 0.117 nan 8.270 nan 0.000 0.410 359 Q N 1.205 120.767 119.800 -0.397 0.000 2.399 359 Q HA 0.667 5.008 4.340 0.003 0.000 0.276 359 Q C -1.366 174.514 176.000 -0.200 0.000 1.098 359 Q CA -0.941 54.755 55.803 -0.179 0.000 0.827 359 Q CB 2.498 31.273 28.738 0.062 0.000 1.386 359 Q HN 0.425 nan 8.270 nan 0.000 0.443 360 V N -0.433 119.484 119.914 0.006 0.000 2.789 360 V HA 0.868 4.990 4.120 0.003 0.000 0.311 360 V C -0.271 175.949 176.094 0.211 0.000 1.073 360 V CA -0.891 61.444 62.300 0.058 0.000 0.921 360 V CB 1.903 33.797 31.823 0.118 0.000 1.009 360 V HN 0.856 nan 8.190 nan 0.000 0.426 361 G N 1.807 110.766 108.800 0.266 0.000 2.737 361 G HA2 0.770 4.731 3.960 0.003 0.000 0.290 361 G HA3 0.770 4.731 3.960 0.003 0.000 0.290 361 G C -0.794 174.164 174.900 0.098 0.000 1.482 361 G CA -0.125 45.078 45.100 0.172 0.000 1.017 361 G HN 1.197 nan 8.290 nan 0.000 0.529 362 A N 1.982 124.840 122.820 0.062 0.000 2.365 362 A HA 0.958 5.280 4.320 0.003 0.000 0.318 362 A C -0.225 177.383 177.584 0.040 0.000 1.091 362 A CA -0.677 51.392 52.037 0.054 0.000 0.763 362 A CB 1.960 20.984 19.000 0.041 0.000 1.248 362 A HN 0.679 nan 8.150 nan 0.000 0.442 363 T N 2.077 116.666 114.554 0.057 0.000 2.921 363 T HA 0.561 4.912 4.350 0.003 0.000 0.297 363 T C -0.562 174.157 174.700 0.031 0.000 1.013 363 T CA -0.057 62.059 62.100 0.026 0.000 0.990 363 T CB 0.840 69.738 68.868 0.051 0.000 1.023 363 T HN 0.484 nan 8.240 nan 0.000 0.447 364 I N 3.823 124.383 120.570 -0.018 0.000 2.607 364 I HA 0.747 4.919 4.170 0.003 0.000 0.305 364 I C -0.870 175.236 176.117 -0.019 0.000 0.995 364 I CA -1.106 60.179 61.300 -0.025 0.000 1.148 364 I CB 1.607 39.527 38.000 -0.133 0.000 1.323 364 I HN 0.509 nan 8.210 nan 0.000 0.461 365 L N 1.026 122.275 121.223 0.043 0.000 2.671 365 L HA 0.574 4.916 4.340 0.003 0.000 0.259 365 L C -0.987 175.975 176.870 0.154 0.000 1.021 365 L CA -0.948 53.917 54.840 0.042 0.000 0.871 365 L CB 0.981 43.015 42.059 -0.043 0.000 1.472 365 L HN 0.301 nan 8.230 nan 0.000 0.410 366 D N 0.193 120.656 120.400 0.104 0.000 2.358 366 D HA 0.272 4.913 4.640 0.003 0.000 0.258 366 D C 0.785 177.126 176.300 0.068 0.000 1.223 366 D CA 0.509 54.572 54.000 0.105 0.000 0.886 366 D CB 1.466 42.283 40.800 0.029 0.000 1.120 366 D HN 0.628 nan 8.370 nan 0.000 0.482 367 S N 3.684 119.443 115.700 0.099 0.000 2.365 367 S HA -0.217 4.255 4.470 0.003 0.000 0.225 367 S C 1.633 176.268 174.600 0.058 0.000 1.039 367 S CA 1.237 59.497 58.200 0.101 0.000 1.033 367 S CB -0.101 63.195 63.200 0.159 0.000 0.887 367 S HN 0.555 nan 8.310 nan 0.000 0.447 368 K N 0.552 120.980 120.400 0.046 0.000 2.026 368 K HA -0.078 4.244 4.320 0.003 0.000 0.208 368 K C 2.636 179.264 176.600 0.047 0.000 1.048 368 K CA 1.747 58.061 56.287 0.045 0.000 0.929 368 K CB -0.366 32.155 32.500 0.036 0.000 0.713 368 K HN 0.608 nan 8.250 nan 0.000 0.439 369 T N -3.978 110.601 114.554 0.042 0.000 3.040 369 T HA 0.181 4.532 4.350 0.003 0.000 0.252 369 T C 1.517 176.267 174.700 0.083 0.000 1.064 369 T CA 0.584 62.732 62.100 0.079 0.000 1.110 369 T CB 0.498 69.415 68.868 0.081 0.000 0.921 369 T HN 0.326 nan 8.240 nan 0.000 0.480 370 G N 0.959 109.743 108.800 -0.026 0.000 2.157 370 G HA2 -0.059 3.903 3.960 0.003 0.000 0.248 370 G HA3 -0.059 3.903 3.960 0.003 0.000 0.248 370 G C 0.441 175.073 174.900 -0.447 0.000 0.979 370 G CA -0.060 44.971 45.100 -0.116 0.000 0.650 370 G HN 1.042 nan 8.290 nan 0.000 0.529 371 G N -0.482 107.976 108.800 -0.569 0.000 2.483 371 G HA2 0.571 4.533 3.960 0.003 0.000 0.248 371 G HA3 0.571 4.533 3.960 0.003 0.000 0.248 371 G C -0.031 174.644 174.900 -0.375 0.000 1.248 371 G CA -0.085 44.535 45.100 -0.800 0.000 0.838 371 G HN 1.042 nan 8.290 nan 0.000 0.566 372 L N 3.837 124.856 121.223 -0.340 0.000 2.261 372 L HA 0.359 4.700 4.340 0.003 0.000 0.289 372 L C 1.158 178.044 176.870 0.026 0.000 1.059 372 L CA -0.252 54.460 54.840 -0.214 0.000 0.816 372 L CB 1.334 43.114 42.059 -0.466 0.000 1.191 372 L HN 0.393 nan 8.230 nan 0.000 0.431 373 V N 2.615 122.536 119.914 0.012 0.000 2.685 373 V HA 0.660 4.782 4.120 0.003 0.000 0.244 373 V C 0.792 176.883 176.094 -0.005 0.000 1.054 373 V CA 0.776 63.080 62.300 0.006 0.000 1.076 373 V CB -0.787 31.042 31.823 0.009 0.000 0.725 373 V HN 0.860 nan 8.190 nan 0.000 0.467 374 A N -0.610 122.232 122.820 0.036 0.000 2.599 374 A HA 0.843 5.165 4.320 0.003 0.000 0.290 374 A C -1.456 176.160 177.584 0.055 0.000 1.101 374 A CA -0.375 51.706 52.037 0.072 0.000 0.674 374 A CB 2.167 21.144 19.000 -0.039 0.000 1.277 374 A HN 0.452 nan 8.150 nan 0.000 0.419 375 I N 0.326 120.929 120.570 0.056 0.000 2.739 375 I HA 0.426 4.598 4.170 0.003 0.000 0.287 375 I C -1.393 174.693 176.117 -0.052 0.000 1.558 375 I CA 0.166 61.447 61.300 -0.031 0.000 1.050 375 I CB 1.943 39.867 38.000 -0.127 0.000 1.432 375 I HN 0.776 nan 8.210 nan 0.000 0.432 376 S N 4.182 119.840 115.700 -0.070 0.000 2.659 376 S HA 0.608 5.080 4.470 0.003 0.000 0.312 376 S C 0.760 175.268 174.600 -0.153 0.000 1.114 376 S CA 0.160 58.298 58.200 -0.103 0.000 1.063 376 S CB 1.366 64.556 63.200 -0.015 0.000 0.996 376 S HN 0.892 nan 8.310 nan 0.000 0.478 377 G N 2.521 111.078 108.800 -0.405 0.000 2.744 377 G HA2 0.493 4.455 3.960 0.003 0.000 0.211 377 G HA3 0.493 4.455 3.960 0.003 0.000 0.211 377 G C 0.762 175.701 174.900 0.064 0.000 1.143 377 G CA 0.242 45.138 45.100 -0.340 0.000 0.788 377 G HN 1.345 nan 8.290 nan 0.000 0.534 378 G N -0.378 108.482 108.800 0.099 0.000 2.353 378 G HA2 0.276 4.238 3.960 0.003 0.000 0.308 378 G HA3 0.276 4.238 3.960 0.003 0.000 0.308 378 G C -0.635 174.335 174.900 0.116 0.000 1.418 378 G CA -1.000 44.185 45.100 0.140 0.000 0.966 378 G HN 0.513 nan 8.290 nan 0.000 0.638 379 R N 0.397 120.905 120.500 0.013 0.000 2.458 379 R HA 0.319 4.661 4.340 0.003 0.000 0.303 379 R C -0.412 175.882 176.300 -0.010 0.000 1.013 379 R CA 0.753 56.826 56.100 -0.045 0.000 1.026 379 R CB 0.010 30.173 30.300 -0.228 0.000 0.948 379 R HN 0.541 nan 8.270 nan 0.000 0.417 380 D N 0.373 120.783 120.400 0.018 0.000 3.059 380 D HA -0.245 4.397 4.640 0.003 0.000 0.220 380 D C -0.309 176.018 176.300 0.046 0.000 1.169 380 D CA 1.075 55.085 54.000 0.017 0.000 0.902 380 D CB -1.537 39.242 40.800 -0.035 0.000 1.116 380 D HN 0.672 nan 8.370 nan 0.000 0.417 381 F N 1.455 121.393 119.950 -0.021 0.000 2.460 381 F HA -0.109 4.419 4.527 0.003 0.000 0.413 381 F C 0.861 176.661 175.800 -0.001 0.000 0.967 381 F CA 0.647 58.646 58.000 -0.002 0.000 1.122 381 F CB 0.332 39.343 39.000 0.018 0.000 0.927 381 F HN -0.160 nan 8.300 nan 0.000 0.527 382 K N 4.939 124.903 120.400 -0.728 0.000 2.258 382 K HA 0.183 4.505 4.320 0.003 0.000 0.236 382 K C 0.176 176.174 176.600 -1.004 0.000 1.008 382 K CA -0.650 55.274 56.287 -0.604 0.000 0.869 382 K CB 1.651 33.976 32.500 -0.292 0.000 1.171 382 K HN 0.583 nan 8.250 nan 0.000 0.447 383 D N 0.331 120.447 120.400 -0.474 0.000 2.394 383 D HA -0.086 4.555 4.640 0.003 0.000 0.237 383 D C 1.475 177.680 176.300 -0.159 0.000 1.028 383 D CA 0.912 54.755 54.000 -0.263 0.000 0.937 383 D CB -0.043 40.771 40.800 0.023 0.000 1.072 383 D HN 0.193 nan 8.370 nan 0.000 0.457 384 V N 0.521 120.372 119.914 -0.105 0.000 2.594 384 V HA -0.154 3.968 4.120 0.003 0.000 0.253 384 V C 2.508 178.542 176.094 -0.100 0.000 1.069 384 V CA 1.405 63.662 62.300 -0.073 0.000 1.082 384 V CB -0.224 31.566 31.823 -0.055 0.000 0.680 384 V HN 0.197 nan 8.190 nan 0.000 0.469 385 V N -0.449 119.370 119.914 -0.160 0.000 2.446 385 V HA -0.009 4.112 4.120 0.003 0.000 0.244 385 V C 0.838 176.841 176.094 -0.151 0.000 1.039 385 V CA 1.062 63.276 62.300 -0.145 0.000 1.045 385 V CB -0.668 31.061 31.823 -0.156 0.000 0.681 385 V HN 0.564 nan 8.190 nan 0.000 0.459 386 N N -0.441 118.104 118.700 -0.260 0.000 2.430 386 N HA 0.532 5.274 4.740 0.003 0.000 0.298 386 N C -0.366 175.142 175.510 -0.003 0.000 1.130 386 N CA -0.775 52.173 53.050 -0.169 0.000 0.894 386 N CB 1.175 39.505 38.487 -0.262 0.000 1.209 386 N HN 0.046 nan 8.380 nan 0.000 0.503 387 R N 0.938 121.494 120.500 0.094 0.000 2.543 387 R HA 0.134 4.476 4.340 0.003 0.000 0.277 387 R C -0.430 176.050 176.300 0.300 0.000 1.074 387 R CA -0.156 56.032 56.100 0.147 0.000 1.076 387 R CB 0.143 30.501 30.300 0.097 0.000 0.993 387 R HN 0.477 nan 8.270 nan 0.000 0.459 388 N N 2.900 121.749 118.700 0.249 0.000 2.602 388 N HA -0.014 4.728 4.740 0.003 0.000 0.238 388 N C -0.077 175.486 175.510 0.089 0.000 1.084 388 N CA 0.015 53.170 53.050 0.175 0.000 0.952 388 N CB 1.013 39.552 38.487 0.086 0.000 1.244 388 N HN 0.460 nan 8.380 nan 0.000 0.512 389 Q N 2.060 121.937 119.800 0.128 0.000 2.297 389 Q HA -0.017 4.325 4.340 0.003 0.000 0.208 389 Q C 1.595 177.671 176.000 0.127 0.000 0.981 389 Q CA 1.389 57.287 55.803 0.158 0.000 0.876 389 Q CB -0.045 28.834 28.738 0.236 0.000 0.921 389 Q HN 0.717 nan 8.270 nan 0.000 0.446 390 A N -0.624 122.239 122.820 0.072 0.000 1.930 390 A HA -0.064 4.258 4.320 0.003 0.000 0.215 390 A C 1.928 179.577 177.584 0.108 0.000 1.176 390 A CA 1.573 53.658 52.037 0.080 0.000 0.632 390 A CB -0.386 18.639 19.000 0.040 0.000 0.819 390 A HN 0.433 nan 8.150 nan 0.000 0.445 391 T N -2.549 112.053 114.554 0.079 0.000 3.206 391 T HA 0.234 4.586 4.350 0.003 0.000 0.253 391 T C -0.379 174.312 174.700 -0.014 0.000 1.042 391 T CA -0.284 61.852 62.100 0.060 0.000 0.931 391 T CB -0.143 68.734 68.868 0.015 0.000 1.029 391 T HN 0.111 nan 8.240 nan 0.000 0.564 392 D N 3.128 123.486 120.400 -0.071 0.000 2.217 392 D HA 0.435 5.077 4.640 0.003 0.000 0.248 392 D C -2.594 173.452 176.300 -0.423 0.000 1.008 392 D CA -2.021 51.831 54.000 -0.246 0.000 0.914 392 D CB 1.960 42.556 40.800 -0.341 0.000 1.182 392 D HN 0.114 nan 8.370 nan 0.000 0.451 393 P HA 0.202 nan 4.420 nan 0.000 0.279 393 P C -0.778 176.135 177.300 -0.645 0.000 1.239 393 P CA -0.075 62.823 63.100 -0.337 0.000 0.789 393 P CB 1.072 32.620 31.700 -0.254 0.000 0.933 394 H N 1.222 120.240 119.070 -0.086 0.000 2.851 394 H HA 0.367 4.925 4.556 0.003 0.000 0.372 394 H C -2.400 173.055 175.328 0.212 0.000 1.158 394 H CA -2.072 53.930 56.048 -0.078 0.000 1.159 394 H CB 1.729 31.164 29.762 -0.545 0.000 1.757 394 H HN 0.194 nan 8.280 nan 0.000 0.546 395 P HA -0.021 nan 4.420 nan 0.000 0.267 395 P C 1.044 178.634 177.300 0.482 0.000 1.205 395 P CA 0.145 63.438 63.100 0.322 0.000 0.765 395 P CB 0.626 32.484 31.700 0.264 0.000 0.828 396 T N 0.091 114.799 114.554 0.256 0.000 3.067 396 T HA 0.261 4.613 4.350 0.003 0.000 0.257 396 T C 1.139 175.755 174.700 -0.141 0.000 1.105 396 T CA 0.507 62.565 62.100 -0.070 0.000 1.104 396 T CB -0.874 67.944 68.868 -0.084 0.000 0.925 396 T HN 0.619 nan 8.240 nan 0.000 0.498 397 G N 1.812 110.664 108.800 0.087 0.000 2.564 397 G HA2 -0.351 3.611 3.960 0.003 0.000 0.273 397 G HA3 -0.351 3.611 3.960 0.003 0.000 0.273 397 G C 1.030 175.939 174.900 0.014 0.000 1.242 397 G CA 1.077 46.231 45.100 0.090 0.000 0.951 397 G HN 1.247 nan 8.290 nan 0.000 0.564 398 S N -0.343 115.365 115.700 0.013 0.000 2.607 398 S HA 0.182 4.654 4.470 0.003 0.000 0.224 398 S C 2.224 176.793 174.600 -0.052 0.000 0.969 398 S CA 1.547 59.742 58.200 -0.009 0.000 0.927 398 S CB -0.013 63.188 63.200 0.002 0.000 0.772 398 S HN 1.130 nan 8.310 nan 0.000 0.533 399 S N 1.970 117.603 115.700 -0.112 0.000 2.392 399 S HA -0.004 4.468 4.470 0.003 0.000 0.232 399 S C 1.406 175.975 174.600 -0.052 0.000 1.041 399 S CA 1.506 59.639 58.200 -0.112 0.000 1.026 399 S CB -0.451 62.530 63.200 -0.366 0.000 0.845 399 S HN 0.614 nan 8.310 nan 0.000 0.465 400 L N 0.444 121.635 121.223 -0.053 0.000 2.592 400 L HA 0.159 4.501 4.340 0.003 0.000 0.227 400 L C 1.855 178.673 176.870 -0.087 0.000 1.127 400 L CA 0.191 55.021 54.840 -0.016 0.000 0.884 400 L CB -0.181 41.944 42.059 0.110 0.000 1.065 400 L HN 0.172 nan 8.230 nan 0.000 0.457 401 K N 0.707 121.057 120.400 -0.083 0.000 2.103 401 K HA -0.138 4.184 4.320 0.003 0.000 0.207 401 K C -0.658 175.945 176.600 0.006 0.000 1.048 401 K CA 1.251 57.541 56.287 0.005 0.000 0.930 401 K CB -0.806 31.769 32.500 0.125 0.000 0.716 401 K HN 0.260 nan 8.250 nan 0.000 0.444 402 P HA -0.115 nan 4.420 nan 0.000 0.226 402 P C 0.470 177.622 177.300 -0.247 0.000 1.153 402 P CA 1.169 64.081 63.100 -0.312 0.000 0.777 402 P CB 0.063 31.389 31.700 -0.624 0.000 0.794 403 F N -2.287 117.676 119.950 0.022 0.000 2.622 403 F HA 0.205 4.734 4.527 0.004 0.000 0.288 403 F C 1.967 177.829 175.800 0.103 0.000 1.120 403 F CA 0.047 58.128 58.000 0.135 0.000 1.423 403 F CB -0.139 38.876 39.000 0.024 0.000 1.127 403 F HN -0.266 nan 8.300 nan 0.000 0.588 404 L N -0.887 120.423 121.223 0.144 0.000 2.515 404 L HA 0.284 4.625 4.340 0.003 0.000 0.223 404 L C 1.868 178.734 176.870 -0.005 0.000 1.079 404 L CA 0.507 55.381 54.840 0.058 0.000 0.857 404 L CB -0.028 41.999 42.059 -0.054 0.000 1.050 404 L HN 0.130 nan 8.230 nan 0.000 0.476 405 A N -0.983 121.781 122.820 -0.094 0.000 2.213 405 A HA 0.076 4.398 4.320 0.003 0.000 0.220 405 A C 1.565 178.935 177.584 -0.356 0.000 2.232 405 A CA 0.104 51.988 52.037 -0.255 0.000 1.017 405 A CB -0.619 18.108 19.000 -0.456 0.000 1.372 405 A HN 0.143 nan 8.150 nan 0.000 0.614 406 Y N 0.796 121.009 120.300 -0.144 0.000 2.337 406 Y HA 0.108 4.659 4.550 0.002 0.000 0.293 406 Y C 2.667 178.429 175.900 -0.230 0.000 1.123 406 Y CA 0.730 58.747 58.100 -0.138 0.000 1.201 406 Y CB -0.521 37.920 38.460 -0.031 0.000 1.011 406 Y HN 0.395 nan 8.280 nan 0.000 0.545 407 G N 0.861 109.574 108.800 -0.145 0.000 2.414 407 G HA2 -0.168 3.793 3.960 0.003 0.000 0.215 407 G HA3 -0.168 3.793 3.960 0.003 0.000 0.215 407 G C -0.661 173.785 174.900 -0.758 0.000 1.188 407 G CA 0.750 45.650 45.100 -0.333 0.000 0.783 407 G HN 0.248 nan 8.290 nan 0.000 0.537 408 P HA -0.119 nan 4.420 nan 0.000 0.216 408 P C 2.225 179.184 177.300 -0.568 0.000 1.153 408 P CA 2.146 64.698 63.100 -0.913 0.000 0.858 408 P CB -0.179 31.161 31.700 -0.600 0.000 0.789 409 A N -0.513 121.941 122.820 -0.610 0.000 1.883 409 A HA -0.214 4.108 4.320 0.003 0.000 0.217 409 A C 2.267 179.497 177.584 -0.590 0.000 1.186 409 A CA 1.723 53.250 52.037 -0.851 0.000 0.624 409 A CB -1.669 16.500 19.000 -1.385 0.000 0.822 409 A HN 0.114 nan 8.150 nan 0.000 0.444 410 I N -0.904 119.482 120.570 -0.307 0.000 2.226 410 I HA -0.257 3.915 4.170 0.003 0.000 0.245 410 I C 2.578 178.754 176.117 0.099 0.000 1.100 410 I CA 1.996 63.291 61.300 -0.009 0.000 1.374 410 I CB -0.358 37.708 38.000 0.110 0.000 1.057 410 I HN 0.537 nan 8.210 nan 0.000 0.413 411 E N 0.751 120.914 120.200 -0.061 0.000 2.152 411 E HA -0.075 4.276 4.350 0.003 0.000 0.192 411 E C 0.836 177.458 176.600 0.037 0.000 0.983 411 E CA 0.616 57.023 56.400 0.012 0.000 0.818 411 E CB 0.335 30.012 29.700 -0.038 0.000 0.758 411 E HN 0.394 nan 8.360 nan 0.000 0.467 415 W N 2.094 123.398 121.300 0.005 0.000 2.170 415 W HA 0.284 4.947 4.660 0.005 0.000 0.342 415 W C 1.078 177.645 176.519 0.079 0.000 1.294 415 W CA -0.518 56.837 57.345 0.016 0.000 1.246 415 W CB 0.028 29.439 29.460 -0.082 0.000 1.156 415 W HN 0.303 nan 8.180 nan 0.000 0.572 416 A N 1.671 124.667 122.820 0.293 0.000 2.310 416 A HA 0.280 4.602 4.320 0.003 0.000 0.260 416 A C 1.308 179.039 177.584 0.245 0.000 1.112 416 A CA 0.406 52.566 52.037 0.204 0.000 0.804 416 A CB -0.142 18.930 19.000 0.120 0.000 1.081 416 A HN 0.712 nan 8.150 nan 0.000 0.499 417 T N -1.529 113.137 114.554 0.186 0.000 3.160 417 T HA -0.009 4.343 4.350 0.003 0.000 0.257 417 T C 0.545 175.345 174.700 0.167 0.000 1.147 417 T CA 1.099 63.314 62.100 0.191 0.000 1.064 417 T CB -0.423 68.524 68.868 0.133 0.000 0.949 417 T HN 0.575 nan 8.240 nan 0.000 0.526 418 N N 0.245 119.018 118.700 0.123 0.000 2.220 418 N HA 0.063 4.805 4.740 0.003 0.000 0.195 418 N C 0.064 175.593 175.510 0.031 0.000 1.123 418 N CA -0.090 53.001 53.050 0.068 0.000 0.874 418 N CB -0.335 38.162 38.487 0.017 0.000 0.995 418 N HN 0.565 nan 8.380 nan 0.000 0.498 419 H N 1.854 120.878 119.070 -0.077 0.000 3.232 419 H HA 0.069 4.628 4.556 0.004 0.000 0.276 419 H C 0.129 175.322 175.328 -0.225 0.000 0.882 419 H CA -0.123 55.739 56.048 -0.311 0.000 1.415 419 H CB 0.201 29.523 29.762 -0.733 0.000 1.405 419 H HN 0.166 nan 8.280 nan 0.000 0.543 420 A N 6.693 129.243 122.820 -0.450 0.000 2.409 420 A HA 0.418 4.740 4.320 0.003 0.000 0.267 420 A C -0.107 177.317 177.584 -0.267 0.000 1.127 420 A CA -0.432 51.447 52.037 -0.262 0.000 0.795 420 A CB 0.083 18.945 19.000 -0.230 0.000 1.061 420 A HN 0.746 nan 8.150 nan 0.000 0.502 421 I N 1.190 121.715 120.570 -0.075 0.000 2.646 421 I HA 0.309 4.481 4.170 0.003 0.000 0.299 421 I C 0.109 176.215 176.117 -0.019 0.000 1.036 421 I CA -0.666 60.620 61.300 -0.022 0.000 1.074 421 I CB 2.107 40.162 38.000 0.091 0.000 1.258 421 I HN 0.777 nan 8.210 nan 0.000 0.430 422 Q N 4.352 124.132 119.800 -0.033 0.000 2.322 422 Q HA 0.123 4.464 4.340 0.003 0.000 0.256 422 Q C -0.562 175.415 176.000 -0.038 0.000 0.960 422 Q CA -0.411 55.371 55.803 -0.036 0.000 0.934 422 Q CB 1.000 29.716 28.738 -0.037 0.000 1.200 422 Q HN 0.501 nan 8.270 nan 0.000 0.435 423 D N 3.354 123.729 120.400 -0.042 0.000 2.360 423 D HA 0.122 4.764 4.640 0.003 0.000 0.242 423 D C -0.513 175.752 176.300 -0.058 0.000 1.184 423 D CA 0.478 54.441 54.000 -0.062 0.000 0.930 423 D CB 0.872 41.605 40.800 -0.111 0.000 1.161 423 D HN 0.662 nan 8.370 nan 0.000 0.447 424 E N -0.104 120.068 120.200 -0.047 0.000 2.458 424 E HA 0.083 4.435 4.350 0.003 0.000 0.278 424 E C 0.209 176.795 176.600 -0.023 0.000 1.004 424 E CA -0.645 55.746 56.400 -0.015 0.000 0.823 424 E CB 1.504 31.237 29.700 0.055 0.000 1.396 424 E HN 0.312 nan 8.360 nan 0.000 0.463 425 S N -0.075 115.620 115.700 -0.008 0.000 2.343 425 S HA -0.047 4.425 4.470 0.003 0.000 0.219 425 S C 0.724 175.340 174.600 0.027 0.000 1.033 425 S CA 1.561 59.753 58.200 -0.013 0.000 1.014 425 S CB 0.122 63.318 63.200 -0.008 0.000 0.915 425 S HN 0.396 nan 8.310 nan 0.000 0.435 426 S N -2.249 113.495 115.700 0.074 0.000 2.794 426 S HA 0.698 5.170 4.470 0.003 0.000 0.299 426 S C -1.774 172.970 174.600 0.241 0.000 1.179 426 S CA -0.594 57.683 58.200 0.128 0.000 0.838 426 S CB 1.507 64.751 63.200 0.075 0.000 1.206 426 S HN 0.507 nan 8.310 nan 0.000 0.523 427 Y N 0.441 120.806 120.300 0.108 0.000 2.597 427 Y HA 0.434 4.986 4.550 0.003 0.000 0.340 427 Y C -1.533 174.457 175.900 0.150 0.000 1.097 427 Y CA -0.765 57.412 58.100 0.128 0.000 1.037 427 Y CB 1.401 39.956 38.460 0.158 0.000 1.305 427 Y HN 0.388 nan 8.280 nan 0.000 0.463 428 Q N 3.921 123.327 119.800 -0.657 0.000 2.394 428 Q HA 0.420 4.762 4.340 0.003 0.000 0.259 428 Q C -1.468 174.274 176.000 -0.429 0.000 1.021 428 Q CA -0.588 54.969 55.803 -0.410 0.000 0.805 428 Q CB 1.997 30.544 28.738 -0.318 0.000 1.226 428 Q HN 0.432 nan 8.270 nan 0.000 0.476 429 V N 4.113 124.033 119.914 0.011 0.000 2.349 429 V HA 0.209 4.331 4.120 0.003 0.000 0.284 429 V C -0.025 176.184 176.094 0.192 0.000 1.014 429 V CA -0.531 61.877 62.300 0.181 0.000 0.826 429 V CB 1.053 33.136 31.823 0.434 0.000 1.009 429 V HN 0.751 nan 8.190 nan 0.000 0.431 430 D N 3.722 124.183 120.400 0.101 0.000 3.831 430 D HA -0.187 4.454 4.640 0.003 0.000 0.276 430 D C 1.204 177.523 176.300 0.032 0.000 2.100 430 D CA 1.499 55.544 54.000 0.075 0.000 1.140 430 D CB -0.243 40.627 40.800 0.116 0.000 0.949 430 D HN 0.850 nan 8.370 nan 0.000 1.144 431 G N -0.300 108.513 108.800 0.021 0.000 3.392 431 G HA2 0.367 4.329 3.960 0.003 0.000 0.247 431 G HA3 0.367 4.329 3.960 0.003 0.000 0.247 431 G C -0.416 174.451 174.900 -0.054 0.000 1.161 431 G CA 0.528 45.618 45.100 -0.016 0.000 1.739 431 G HN 0.294 nan 8.290 nan 0.000 0.619 432 S N -0.780 114.868 115.700 -0.087 0.000 2.547 432 S HA 0.547 5.018 4.470 0.003 0.000 0.281 432 S C -0.450 173.900 174.600 -0.417 0.000 1.118 432 S CA -0.590 57.445 58.200 -0.276 0.000 0.947 432 S CB 2.175 65.227 63.200 -0.246 0.000 1.053 432 S HN 0.087 nan 8.310 nan 0.000 0.482 433 T N 3.100 117.325 114.554 -0.547 0.000 2.772 433 T HA 0.589 4.941 4.350 0.003 0.000 0.288 433 T C -1.023 173.377 174.700 -0.499 0.000 0.994 433 T CA -0.138 61.741 62.100 -0.368 0.000 0.951 433 T CB -0.109 68.642 68.868 -0.195 0.000 0.933 433 T HN 0.401 nan 8.240 nan 0.000 0.447 434 F N 3.212 123.209 119.950 0.078 0.000 2.508 434 F HA 0.675 5.203 4.527 0.002 0.000 0.325 434 F C 0.745 176.606 175.800 0.102 0.000 1.090 434 F CA -1.262 56.797 58.000 0.099 0.000 0.945 434 F CB 1.820 40.903 39.000 0.138 0.000 1.156 434 F HN 0.405 nan 8.300 nan 0.000 0.463 435 R N 0.806 121.473 120.500 0.278 0.000 2.888 435 R HA 0.581 4.923 4.340 0.003 0.000 0.264 435 R C -1.107 175.301 176.300 0.180 0.000 1.045 435 R CA -1.233 54.969 56.100 0.171 0.000 0.962 435 R CB 0.873 31.223 30.300 0.083 0.000 1.210 435 R HN 0.370 nan 8.270 nan 0.000 0.479 436 N N 0.108 118.898 118.700 0.150 0.000 2.294 436 N HA -0.012 4.730 4.740 0.003 0.000 0.248 436 N C 0.331 175.971 175.510 0.217 0.000 1.300 436 N CA -0.190 52.986 53.050 0.211 0.000 0.925 436 N CB 0.128 38.745 38.487 0.216 0.000 1.188 436 N HN 0.612 nan 8.380 nan 0.000 0.512 437 Y N 0.803 121.211 120.300 0.181 0.000 2.133 437 Y HA -0.180 4.370 4.550 0.001 0.000 0.287 437 Y C 2.043 178.022 175.900 0.132 0.000 1.134 437 Y CA 1.880 60.073 58.100 0.155 0.000 1.133 437 Y CB -0.020 38.539 38.460 0.166 0.000 0.987 437 Y HN 0.613 nan 8.280 nan 0.000 0.502 438 D N -2.514 118.099 120.400 0.355 0.000 2.312 438 D HA -0.138 4.504 4.640 0.003 0.000 0.211 438 D C 1.415 177.768 176.300 0.088 0.000 0.964 438 D CA 1.552 55.693 54.000 0.235 0.000 0.877 438 D CB -0.088 40.883 40.800 0.284 0.000 0.924 438 D HN 0.480 nan 8.370 nan 0.000 0.515 439 T N -0.811 113.779 114.554 0.059 0.000 12.693 439 T HA -0.200 4.152 4.350 0.003 0.000 0.401 439 T C 0.037 174.706 174.700 -0.052 0.000 1.572 439 T CA 1.190 63.289 62.100 -0.001 0.000 2.569 439 T CB -1.576 67.279 68.868 -0.021 0.000 2.634 439 T HN 0.344 nan 8.240 nan 0.000 0.586 440 K N 2.145 122.493 120.400 -0.086 0.000 2.295 440 K HA 0.532 4.854 4.320 0.003 0.000 0.270 440 K C 0.243 176.587 176.600 -0.427 0.000 1.011 440 K CA 0.147 56.325 56.287 -0.182 0.000 0.953 440 K CB 1.183 33.600 32.500 -0.138 0.000 0.956 440 K HN 0.299 nan 8.250 nan 0.000 0.477 441 S N 0.329 115.790 115.700 -0.399 0.000 2.645 441 S HA 0.141 4.612 4.470 0.003 0.000 0.266 441 S C 0.034 174.210 174.600 -0.706 0.000 1.258 441 S CA -0.436 57.465 58.200 -0.499 0.000 0.990 441 S CB 0.305 63.367 63.200 -0.231 0.000 0.967 441 S HN 0.649 nan 8.310 nan 0.000 0.556 442 H N 0.618 119.542 119.070 -0.243 0.000 3.078 442 H HA 0.396 4.951 4.556 -0.002 0.000 0.263 442 H C 1.048 176.261 175.328 -0.193 0.000 1.177 442 H CA 0.160 56.052 56.048 -0.261 0.000 1.128 442 H CB 0.348 29.849 29.762 -0.435 0.000 1.623 442 H HN 0.911 nan 8.280 nan 0.000 0.592 443 G N 0.815 109.566 108.800 -0.080 0.000 2.552 443 G HA2 -0.337 3.625 3.960 0.003 0.000 0.265 443 G HA3 -0.337 3.625 3.960 0.003 0.000 0.265 443 G C 0.066 174.939 174.900 -0.045 0.000 1.234 443 G CA -0.098 44.966 45.100 -0.060 0.000 0.944 443 G HN 0.310 nan 8.290 nan 0.000 0.568 444 T N 1.299 115.829 114.554 -0.040 0.000 2.888 444 T HA 0.494 4.845 4.350 0.003 0.000 0.301 444 T C 0.575 175.268 174.700 -0.012 0.000 1.001 444 T CA 0.636 62.716 62.100 -0.034 0.000 1.147 444 T CB 0.793 69.634 68.868 -0.045 0.000 0.931 444 T HN 1.887 nan 8.240 nan 0.000 0.541 445 V N 0.247 120.171 119.914 0.017 0.000 3.114 445 V HA 0.844 4.966 4.120 0.003 0.000 0.308 445 V C -0.033 176.110 176.094 0.081 0.000 1.168 445 V CA -1.363 60.978 62.300 0.068 0.000 1.015 445 V CB 1.929 33.842 31.823 0.151 0.000 1.050 445 V HN 0.887 nan 8.190 nan 0.000 0.433 446 S N 2.113 117.874 115.700 0.102 0.000 2.580 446 S HA 0.402 4.874 4.470 0.003 0.000 0.274 446 S C 1.292 175.998 174.600 0.177 0.000 1.329 446 S CA -0.052 58.222 58.200 0.124 0.000 1.036 446 S CB 0.794 64.079 63.200 0.143 0.000 0.919 446 S HN 1.538 nan 8.310 nan 0.000 0.515 447 I N -0.450 120.254 120.570 0.224 0.000 2.361 447 I HA -0.117 4.055 4.170 0.003 0.000 0.251 447 I C 2.131 178.276 176.117 0.046 0.000 1.133 447 I CA 1.365 62.827 61.300 0.270 0.000 1.413 447 I CB -0.689 37.607 38.000 0.493 0.000 1.073 447 I HN 0.808 nan 8.210 nan 0.000 0.424 448 Y N 2.677 122.971 120.300 -0.010 0.000 2.097 448 Y HA -0.316 4.234 4.550 0.000 0.000 0.282 448 Y C 2.307 178.133 175.900 -0.123 0.000 1.152 448 Y CA 2.234 60.293 58.100 -0.068 0.000 1.136 448 Y CB -0.320 38.131 38.460 -0.015 0.000 0.975 448 Y HN 0.190 nan 8.280 nan 0.000 0.498 449 D N 0.386 120.708 120.400 -0.129 0.000 2.078 449 D HA -0.224 4.418 4.640 0.003 0.000 0.193 449 D C 2.332 178.400 176.300 -0.387 0.000 0.990 449 D CA 1.619 55.459 54.000 -0.266 0.000 0.827 449 D CB -0.730 40.056 40.800 -0.023 0.000 0.975 449 D HN 0.508 nan 8.370 nan 0.000 0.451 450 A N 0.765 123.488 122.820 -0.162 0.000 2.009 450 A HA -0.213 4.108 4.320 0.003 0.000 0.222 450 A C 2.140 179.491 177.584 -0.389 0.000 1.175 450 A CA 1.308 53.275 52.037 -0.116 0.000 0.651 450 A CB -0.562 18.601 19.000 0.271 0.000 0.815 450 A HN 0.220 nan 8.150 nan 0.000 0.459 451 L N 0.007 120.893 121.223 -0.562 0.000 2.145 451 L HA 0.008 4.350 4.340 0.003 0.000 0.201 451 L C 2.601 179.177 176.870 -0.490 0.000 1.075 451 L CA 2.063 56.518 54.840 -0.641 0.000 0.773 451 L CB -0.546 41.051 42.059 -0.770 0.000 0.936 451 L HN 0.576 nan 8.230 nan 0.000 0.451 452 R N -0.950 119.228 120.500 -0.536 0.000 2.235 452 R HA -0.075 4.267 4.340 0.003 0.000 0.213 452 R C 1.348 177.388 176.300 -0.434 0.000 1.059 452 R CA 1.241 57.053 56.100 -0.481 0.000 0.997 452 R CB -0.380 29.578 30.300 -0.571 0.000 0.884 452 R HN 0.500 nan 8.270 nan 0.000 0.462 453 Q N 0.399 119.871 119.800 -0.546 0.000 2.247 453 Q HA 0.118 4.460 4.340 0.003 0.000 0.211 453 Q C -0.233 175.418 176.000 -0.581 0.000 0.861 453 Q CA 0.094 55.542 55.803 -0.592 0.000 0.949 453 Q CB 1.076 29.292 28.738 -0.870 0.000 1.115 453 Q HN 0.311 nan 8.270 nan 0.000 0.507 454 S N 0.802 116.213 115.700 -0.482 0.000 3.797 454 S HA -0.139 4.332 4.470 0.003 0.000 0.374 454 S C -0.372 174.182 174.600 -0.078 0.000 0.970 454 S CA -0.245 57.815 58.200 -0.235 0.000 1.177 454 S CB -1.196 61.912 63.200 -0.152 0.000 0.891 454 S HN 0.310 nan 8.310 nan 0.000 0.491 455 F N 1.828 121.790 119.950 0.020 0.000 2.429 455 F HA 0.384 4.913 4.527 0.002 0.000 0.348 455 F C 1.640 177.510 175.800 0.117 0.000 1.109 455 F CA -0.937 57.113 58.000 0.083 0.000 1.232 455 F CB 0.394 39.443 39.000 0.082 0.000 1.157 455 F HN 0.194 nan 8.300 nan 0.000 0.564 456 N N 1.723 120.622 118.700 0.332 0.000 2.173 456 N HA -0.068 4.674 4.740 0.003 0.000 0.184 456 N C 2.011 177.613 175.510 0.154 0.000 1.025 456 N CA 0.911 54.081 53.050 0.201 0.000 0.852 456 N CB -0.087 38.511 38.487 0.184 0.000 0.998 456 N HN 0.387 nan 8.380 nan 0.000 0.427 457 I N 1.485 122.147 120.570 0.154 0.000 2.076 457 I HA -0.153 4.019 4.170 0.003 0.000 0.237 457 I C -0.658 175.484 176.117 0.042 0.000 1.059 457 I CA 1.543 62.883 61.300 0.066 0.000 1.317 457 I CB -2.359 35.658 38.000 0.029 0.000 1.037 457 I HN 0.014 nan 8.210 nan 0.000 0.398 458 P HA -0.210 nan 4.420 nan 0.000 0.218 458 P C 1.676 179.038 177.300 0.103 0.000 1.154 458 P CA 2.421 65.619 63.100 0.163 0.000 0.872 458 P CB -0.082 31.819 31.700 0.335 0.000 0.790 459 A N -0.608 122.293 122.820 0.135 0.000 1.841 459 A HA -0.219 4.103 4.320 0.003 0.000 0.216 459 A C 2.287 179.838 177.584 -0.055 0.000 1.199 459 A CA 1.831 53.833 52.037 -0.058 0.000 0.621 459 A CB -1.680 17.372 19.000 0.086 0.000 0.835 459 A HN 0.105 nan 8.150 nan 0.000 0.445 460 L N -0.691 120.539 121.223 0.013 0.000 2.013 460 L HA -0.270 4.072 4.340 0.003 0.000 0.212 460 L C 2.730 179.696 176.870 0.159 0.000 1.073 460 L CA 1.782 56.693 54.840 0.118 0.000 0.753 460 L CB -0.536 41.579 42.059 0.094 0.000 0.890 460 L HN 0.332 nan 8.230 nan 0.000 0.432 461 K N 0.044 120.431 120.400 -0.020 0.000 2.020 461 K HA -0.212 4.110 4.320 0.003 0.000 0.212 461 K C 2.181 178.811 176.600 0.049 0.000 1.050 461 K CA 1.747 58.001 56.287 -0.055 0.000 0.929 461 K CB -0.651 31.788 32.500 -0.101 0.000 0.714 461 K HN 0.332 nan 8.250 nan 0.000 0.443 462 A N 0.655 123.503 122.820 0.046 0.000 1.892 462 A HA -0.213 4.108 4.320 0.003 0.000 0.218 462 A C 2.091 179.622 177.584 -0.089 0.000 1.188 462 A CA 1.819 53.865 52.037 0.014 0.000 0.631 462 A CB -1.081 17.777 19.000 -0.238 0.000 0.822 462 A HN 0.621 nan 8.150 nan 0.000 0.447 463 W N 0.436 121.597 121.300 -0.230 0.000 2.363 463 W HA -0.170 4.491 4.660 0.002 0.000 0.296 463 W C 2.156 178.604 176.519 -0.119 0.000 1.212 463 W CA 1.871 59.099 57.345 -0.196 0.000 1.260 463 W CB -0.270 29.090 29.460 -0.167 0.000 1.131 463 W HN 0.452 nan 8.180 nan 0.000 0.530 464 Q N -0.204 119.460 119.800 -0.227 0.000 2.119 464 Q HA -0.192 4.150 4.340 0.003 0.000 0.201 464 Q C 2.575 178.424 176.000 -0.251 0.000 0.972 464 Q CA 1.881 57.453 55.803 -0.384 0.000 0.847 464 Q CB -0.382 28.296 28.738 -0.100 0.000 0.903 464 Q HN 0.332 nan 8.270 nan 0.000 0.433 465 S N -0.251 115.380 115.700 -0.115 0.000 2.343 465 S HA -0.149 4.323 4.470 0.003 0.000 0.219 465 S C 2.020 176.523 174.600 -0.162 0.000 1.033 465 S CA 1.426 59.597 58.200 -0.048 0.000 1.014 465 S CB -0.483 62.806 63.200 0.149 0.000 0.915 465 S HN 0.229 nan 8.310 nan 0.000 0.435 466 V N 2.313 122.064 119.914 -0.272 0.000 2.233 466 V HA -0.286 3.835 4.120 0.003 0.000 0.252 466 V C 2.727 178.661 176.094 -0.267 0.000 1.063 466 V CA 2.590 64.704 62.300 -0.310 0.000 1.032 466 V CB -0.863 30.763 31.823 -0.329 0.000 0.645 466 V HN 0.548 nan 8.190 nan 0.000 0.446 467 K N -0.984 119.196 120.400 -0.365 0.000 2.103 467 K HA -0.268 4.054 4.320 0.003 0.000 0.207 467 K C 2.328 178.784 176.600 -0.240 0.000 1.048 467 K CA 1.982 58.049 56.287 -0.366 0.000 0.930 467 K CB -0.093 32.016 32.500 -0.652 0.000 0.716 467 K HN 0.568 nan 8.250 nan 0.000 0.444 468 Q N 0.187 119.861 119.800 -0.209 0.000 2.008 468 Q HA -0.077 4.265 4.340 0.003 0.000 0.196 468 Q C 0.596 176.543 176.000 -0.088 0.000 0.973 468 Q CA 1.614 57.341 55.803 -0.128 0.000 0.826 468 Q CB 0.255 28.935 28.738 -0.096 0.000 0.894 468 Q HN 0.289 nan 8.270 nan 0.000 0.439 469 N N -1.052 117.599 118.700 -0.082 0.000 2.268 469 N HA 0.204 4.946 4.740 0.003 0.000 0.204 469 N C -0.080 175.389 175.510 -0.068 0.000 1.124 469 N CA 0.509 53.529 53.050 -0.050 0.000 0.838 469 N CB 1.301 39.781 38.487 -0.011 0.000 0.994 469 N HN 0.230 nan 8.380 nan 0.000 0.489 470 A N -0.756 122.007 122.820 -0.095 0.000 1.999 470 A HA 0.672 4.994 4.320 0.003 0.000 0.190 470 A C 0.602 178.140 177.584 -0.077 0.000 1.737 470 A CA 0.372 52.355 52.037 -0.090 0.000 1.257 470 A CB 0.526 19.449 19.000 -0.129 0.000 1.401 470 A HN 0.205 nan 8.150 nan 0.000 0.430 471 G N -0.464 108.281 108.800 -0.093 0.000 2.282 471 G HA2 0.249 4.211 3.960 0.003 0.000 0.274 471 G HA3 0.249 4.211 3.960 0.003 0.000 0.274 471 G C -0.259 174.585 174.900 -0.094 0.000 1.718 471 G CA 0.070 45.126 45.100 -0.074 0.000 0.927 471 G HN -0.030 nan 8.290 nan 0.000 0.733 472 N N 0.089 118.740 118.700 -0.082 0.000 2.205 472 N HA -0.081 4.660 4.740 0.003 0.000 0.186 472 N C 0.915 176.395 175.510 -0.050 0.000 1.015 472 N CA 1.457 54.454 53.050 -0.089 0.000 0.862 472 N CB 0.252 38.702 38.487 -0.062 0.000 0.986 472 N HN 0.630 nan 8.380 nan 0.000 0.429 473 D N -0.616 119.770 120.400 -0.024 0.000 2.424 473 D HA 0.181 4.823 4.640 0.003 0.000 0.220 473 D C 1.081 177.389 176.300 0.013 0.000 1.150 473 D CA -0.083 53.922 54.000 0.007 0.000 0.831 473 D CB 0.480 41.287 40.800 0.012 0.000 0.981 473 D HN 0.151 nan 8.370 nan 0.000 0.500 474 A N 1.938 124.751 122.820 -0.011 0.000 1.929 474 A HA -0.030 4.291 4.320 0.003 0.000 0.216 474 A C -0.233 177.375 177.584 0.040 0.000 1.176 474 A CA 0.962 52.996 52.037 -0.004 0.000 0.628 474 A CB -1.013 17.955 19.000 -0.053 0.000 0.816 474 A HN 0.126 nan 8.150 nan 0.000 0.444 475 P HA -0.177 nan 4.420 nan 0.000 0.215 475 P C 1.554 178.941 177.300 0.145 0.000 1.157 475 P CA 1.499 64.677 63.100 0.129 0.000 0.868 475 P CB -0.080 31.771 31.700 0.253 0.000 0.788 476 K N 0.309 120.774 120.400 0.107 0.000 2.074 476 K HA -0.218 4.104 4.320 0.003 0.000 0.209 476 K C 1.856 178.514 176.600 0.096 0.000 1.048 476 K CA 1.843 58.191 56.287 0.102 0.000 0.926 476 K CB -0.194 32.354 32.500 0.081 0.000 0.713 476 K HN -0.002 nan 8.250 nan 0.000 0.444 477 K N -0.753 119.693 120.400 0.077 0.000 2.296 477 K HA -0.073 4.248 4.320 0.003 0.000 0.200 477 K C 1.760 178.387 176.600 0.045 0.000 1.048 477 K CA 0.803 57.114 56.287 0.039 0.000 0.966 477 K CB -0.081 32.434 32.500 0.025 0.000 0.754 477 K HN 0.123 nan 8.250 nan 0.000 0.466 478 F N 0.996 120.921 119.950 -0.041 0.000 2.128 478 F HA -0.133 4.397 4.527 0.004 0.000 0.295 478 F C 2.089 177.834 175.800 -0.093 0.000 1.100 478 F CA 1.300 59.264 58.000 -0.059 0.000 1.260 478 F CB -0.045 38.935 39.000 -0.033 0.000 1.009 478 F HN -0.029 nan 8.300 nan 0.000 0.476 479 A N -0.064 122.807 122.820 0.085 0.000 2.014 479 A HA 0.039 4.361 4.320 0.003 0.000 0.218 479 A C 2.217 179.706 177.584 -0.159 0.000 1.163 479 A CA 1.252 53.262 52.037 -0.044 0.000 0.652 479 A CB -1.285 17.800 19.000 0.142 0.000 0.808 479 A HN 0.432 nan 8.150 nan 0.000 0.449 480 A N -0.216 122.548 122.820 -0.093 0.000 2.014 480 A HA -0.046 4.276 4.320 0.003 0.000 0.218 480 A C 1.974 179.411 177.584 -0.246 0.000 1.163 480 A CA 1.440 53.402 52.037 -0.125 0.000 0.652 480 A CB -0.285 18.683 19.000 -0.055 0.000 0.808 480 A HN 0.498 nan 8.150 nan 0.000 0.449 481 K N -0.740 119.479 120.400 -0.301 0.000 2.432 481 K HA 0.173 4.494 4.320 0.003 0.000 0.196 481 K C 0.348 176.636 176.600 -0.520 0.000 1.038 481 K CA 0.456 56.545 56.287 -0.331 0.000 0.986 481 K CB -0.045 32.272 32.500 -0.304 0.000 0.782 481 K HN 0.421 nan 8.250 nan 0.000 0.485 482 L N -0.225 120.610 121.223 -0.646 0.000 2.872 482 L HA 0.237 4.579 4.340 0.003 0.000 0.245 482 L C 0.763 177.237 176.870 -0.661 0.000 1.211 482 L CA -0.158 54.225 54.840 -0.761 0.000 1.013 482 L CB 0.735 42.353 42.059 -0.735 0.000 1.326 482 L HN 0.264 nan 8.230 nan 0.000 0.525 483 G N 0.492 108.897 108.800 -0.658 0.000 2.162 483 G HA2 -0.289 3.673 3.960 0.003 0.000 0.260 483 G HA3 -0.289 3.673 3.960 0.003 0.000 0.260 483 G C 0.122 174.878 174.900 -0.241 0.000 0.976 483 G CA -0.109 44.825 45.100 -0.277 0.000 0.655 483 G HN 0.266 nan 8.290 nan 0.000 0.533 484 L N 1.720 122.723 121.223 -0.365 0.000 2.360 484 L HA 0.396 4.737 4.340 0.003 0.000 0.265 484 L C -0.137 176.625 176.870 -0.180 0.000 1.066 484 L CA -0.758 53.775 54.840 -0.511 0.000 0.929 484 L CB 0.575 42.188 42.059 -0.742 0.000 1.306 484 L HN 0.058 nan 8.230 nan 0.000 0.434 485 N N 2.023 120.707 118.700 -0.027 0.000 2.438 485 N HA 0.348 5.090 4.740 0.003 0.000 0.282 485 N C -1.112 174.363 175.510 -0.058 0.000 1.037 485 N CA -0.353 52.711 53.050 0.024 0.000 0.942 485 N CB 1.770 40.272 38.487 0.025 0.000 1.136 485 N HN 0.223 nan 8.380 nan 0.000 0.481 486 Y N 0.486 120.861 120.300 0.125 0.000 2.335 486 Y HA 0.092 4.643 4.550 0.003 0.000 0.338 486 Y C 1.476 177.409 175.900 0.056 0.000 0.977 486 Y CA -0.683 57.476 58.100 0.099 0.000 1.114 486 Y CB 1.749 40.269 38.460 0.100 0.000 1.182 486 Y HN 0.536 nan 8.280 nan 0.000 0.463 487 E N 2.307 122.602 120.200 0.158 0.000 2.031 487 E HA -0.015 4.337 4.350 0.003 0.000 0.193 487 E C 1.142 177.807 176.600 0.108 0.000 0.994 487 E CA 1.613 58.072 56.400 0.097 0.000 0.800 487 E CB -0.154 29.579 29.700 0.056 0.000 0.752 487 E HN 0.833 nan 8.360 nan 0.000 0.447 488 G N -0.786 108.091 108.800 0.128 0.000 2.940 488 G HA2 0.239 4.200 3.960 0.003 0.000 0.164 488 G HA3 0.239 4.200 3.960 0.003 0.000 0.164 488 G C -0.722 174.240 174.900 0.104 0.000 1.326 488 G CA -0.360 44.800 45.100 0.100 0.000 1.020 488 G HN 0.082 nan 8.290 nan 0.000 0.586 489 D N -0.066 120.379 120.400 0.075 0.000 2.362 489 D HA 0.229 4.870 4.640 0.003 0.000 0.242 489 D C 0.101 176.402 176.300 0.001 0.000 1.132 489 D CA 0.197 54.229 54.000 0.054 0.000 0.907 489 D CB 1.444 42.283 40.800 0.065 0.000 1.195 489 D HN 0.047 nan 8.370 nan 0.000 0.429 490 I N 2.340 122.884 120.570 -0.044 0.000 2.268 490 I HA 0.220 4.392 4.170 0.003 0.000 0.290 490 I C 1.167 177.257 176.117 -0.046 0.000 1.125 490 I CA -0.374 60.803 61.300 -0.204 0.000 1.236 490 I CB 0.560 38.363 38.000 -0.329 0.000 1.469 490 I HN 0.169 nan 8.210 nan 0.000 0.512 491 G N 6.490 115.248 108.800 -0.070 0.000 2.563 491 G HA2 0.277 4.239 3.960 0.003 0.000 0.283 491 G HA3 0.277 4.239 3.960 0.003 0.000 0.283 491 G C -1.519 173.184 174.900 -0.328 0.000 1.309 491 G CA -0.793 44.296 45.100 -0.019 0.000 1.022 491 G HN 0.314 nan 8.290 nan 0.000 0.501 492 P HA -0.122 nan 4.420 nan 0.000 0.216 492 P C 2.112 179.128 177.300 -0.475 0.000 1.153 492 P CA 1.622 64.401 63.100 -0.536 0.000 0.844 492 P CB 0.036 31.582 31.700 -0.256 0.000 0.787 493 S N 1.092 116.677 115.700 -0.193 0.000 2.369 493 S HA -0.215 4.257 4.470 0.003 0.000 0.225 493 S C 1.926 176.455 174.600 -0.117 0.000 1.043 493 S CA 2.051 60.210 58.200 -0.068 0.000 1.074 493 S CB -0.936 62.317 63.200 0.087 0.000 0.962 493 S HN 0.277 nan 8.310 nan 0.000 0.433 494 E N 0.652 120.776 120.200 -0.128 0.000 2.338 494 E HA -0.050 4.301 4.350 0.003 0.000 0.197 494 E C 2.116 178.598 176.600 -0.197 0.000 1.007 494 E CA 0.999 57.347 56.400 -0.087 0.000 0.849 494 E CB -0.649 29.033 29.700 -0.030 0.000 0.774 494 E HN 0.543 nan 8.360 nan 0.000 0.506 495 V N 1.503 121.160 119.914 -0.428 0.000 2.490 495 V HA -0.188 3.934 4.120 0.003 0.000 0.250 495 V C 2.190 178.129 176.094 -0.258 0.000 1.061 495 V CA 1.313 63.314 62.300 -0.498 0.000 1.064 495 V CB -0.442 30.863 31.823 -0.863 0.000 0.670 495 V HN 0.262 nan 8.190 nan 0.000 0.461 496 L N -0.270 120.830 121.223 -0.204 0.000 2.728 496 L HA 0.446 4.788 4.340 0.003 0.000 0.238 496 L C 1.550 178.420 176.870 -0.001 0.000 1.143 496 L CA 0.742 55.526 54.840 -0.094 0.000 0.937 496 L CB 0.260 42.249 42.059 -0.116 0.000 1.225 496 L HN 0.496 nan 8.230 nan 0.000 0.507 497 G N -0.280 108.534 108.800 0.023 0.000 2.179 497 G HA2 -0.205 3.757 3.960 0.003 0.000 0.220 497 G HA3 -0.205 3.757 3.960 0.003 0.000 0.220 497 G C 0.560 175.525 174.900 0.109 0.000 0.990 497 G CA -0.294 44.856 45.100 0.085 0.000 0.646 497 G HN 0.476 nan 8.290 nan 0.000 0.517 498 G N -0.236 108.615 108.800 0.084 0.000 2.616 498 G HA2 0.626 4.588 3.960 0.003 0.000 0.268 498 G HA3 0.626 4.588 3.960 0.003 0.000 0.268 498 G C 1.120 176.079 174.900 0.098 0.000 1.213 498 G CA 1.114 46.276 45.100 0.103 0.000 0.926 498 G HN 1.313 nan 8.290 nan 0.000 0.523 499 S N -0.394 115.365 115.700 0.097 0.000 4.106 499 S HA -0.366 4.106 4.470 0.003 0.000 0.541 499 S C 2.185 176.825 174.600 0.068 0.000 1.846 499 S CA 2.009 60.259 58.200 0.082 0.000 4.137 499 S CB -1.416 61.835 63.200 0.085 0.000 0.892 499 S HN 1.905 nan 8.310 nan 0.000 0.535 500 A N 0.297 123.174 122.820 0.095 0.000 2.255 500 A HA 0.333 4.655 4.320 0.003 0.000 0.206 500 A C 1.255 178.878 177.584 0.066 0.000 1.193 500 A CA 1.043 53.127 52.037 0.078 0.000 0.794 500 A CB -0.318 18.787 19.000 0.174 0.000 0.794 500 A HN 0.465 nan 8.150 nan 0.000 0.481 501 S N 1.069 116.861 115.700 0.154 0.000 3.812 501 S HA 0.189 4.661 4.470 0.003 0.000 0.195 501 S C -0.254 174.322 174.600 -0.041 0.000 1.460 501 S CA -0.254 58.073 58.200 0.212 0.000 1.052 501 S CB -0.475 62.910 63.200 0.309 0.000 1.385 501 S HN 0.578 nan 8.310 nan 0.000 0.490 502 E N 1.295 121.190 120.200 -0.508 0.000 2.176 502 E HA 0.527 4.879 4.350 0.003 0.000 0.267 502 E C -1.275 174.786 176.600 -0.900 0.000 0.893 502 E CA -0.415 55.730 56.400 -0.426 0.000 0.761 502 E CB 1.503 31.030 29.700 -0.288 0.000 1.133 502 E HN 0.349 nan 8.360 nan 0.000 0.409 503 F N 0.147 120.132 119.950 0.060 0.000 2.654 503 F HA 0.161 4.689 4.527 0.003 0.000 0.308 503 F C 0.273 176.202 175.800 0.216 0.000 1.108 503 F CA -1.047 56.992 58.000 0.065 0.000 0.957 503 F CB 1.755 40.769 39.000 0.025 0.000 1.309 503 F HN 0.305 nan 8.300 nan 0.000 0.446 504 S N 1.325 117.239 115.700 0.357 0.000 2.592 504 S HA 0.358 4.830 4.470 0.003 0.000 0.271 504 S C -2.214 172.671 174.600 0.475 0.000 1.326 504 S CA -1.046 57.349 58.200 0.325 0.000 1.024 504 S CB 1.536 64.836 63.200 0.166 0.000 0.921 504 S HN 0.355 nan 8.310 nan 0.000 0.527 505 P HA -0.091 nan 4.420 nan 0.000 0.216 505 P C 1.455 178.964 177.300 0.348 0.000 1.150 505 P CA 1.498 64.895 63.100 0.496 0.000 0.843 505 P CB -0.360 31.497 31.700 0.262 0.000 0.787 506 T N -0.613 114.094 114.554 0.255 0.000 2.684 506 T HA -0.221 4.131 4.350 0.003 0.000 0.267 506 T C 1.886 176.709 174.700 0.205 0.000 1.036 506 T CA 1.423 63.647 62.100 0.206 0.000 1.148 506 T CB -0.778 68.230 68.868 0.232 0.000 0.863 506 T HN 0.270 nan 8.240 nan 0.000 0.436 507 Q N 0.105 120.040 119.800 0.224 0.000 2.077 507 Q HA -0.083 4.259 4.340 0.003 0.000 0.206 507 Q C 2.369 178.457 176.000 0.146 0.000 0.989 507 Q CA 1.358 57.270 55.803 0.180 0.000 0.853 507 Q CB -0.310 28.554 28.738 0.210 0.000 0.907 507 Q HN 0.486 nan 8.270 nan 0.000 0.418 508 L N -0.612 120.754 121.223 0.239 0.000 2.068 508 L HA -0.086 4.256 4.340 0.003 0.000 0.204 508 L C 2.532 179.639 176.870 0.395 0.000 1.076 508 L CA 0.692 55.709 54.840 0.295 0.000 0.753 508 L CB -0.786 41.513 42.059 0.400 0.000 0.910 508 L HN 0.225 nan 8.230 nan 0.000 0.439 509 A N 0.197 123.226 122.820 0.349 0.000 1.940 509 A HA -0.294 4.027 4.320 0.003 0.000 0.221 509 A C 2.519 180.230 177.584 0.211 0.000 1.190 509 A CA 2.577 54.789 52.037 0.291 0.000 0.647 509 A CB -0.807 18.313 19.000 0.200 0.000 0.821 509 A HN 0.436 nan 8.150 nan 0.000 0.457 510 S N -0.433 115.338 115.700 0.118 0.000 2.343 510 S HA -0.045 4.427 4.470 0.003 0.000 0.219 510 S C 2.394 177.001 174.600 0.011 0.000 1.033 510 S CA 1.385 59.588 58.200 0.004 0.000 1.014 510 S CB -0.741 62.423 63.200 -0.059 0.000 0.915 510 S HN 0.946 nan 8.310 nan 0.000 0.435 511 A N 0.815 123.626 122.820 -0.016 0.000 1.915 511 A HA -0.192 4.130 4.320 0.003 0.000 0.220 511 A C 1.926 179.361 177.584 -0.248 0.000 1.198 511 A CA 1.954 53.797 52.037 -0.323 0.000 0.647 511 A CB -1.016 17.625 19.000 -0.598 0.000 0.825 511 A HN 0.506 nan 8.150 nan 0.000 0.456 512 F N -0.629 119.359 119.950 0.064 0.000 2.270 512 F HA 0.123 4.651 4.527 0.002 0.000 0.295 512 F C 2.720 178.386 175.800 -0.223 0.000 1.087 512 F CA 0.740 58.757 58.000 0.029 0.000 1.365 512 F CB -0.230 38.850 39.000 0.133 0.000 1.056 512 F HN 0.253 nan 8.300 nan 0.000 0.506 513 A N 0.229 123.093 122.820 0.074 0.000 1.978 513 A HA -0.132 4.190 4.320 0.003 0.000 0.220 513 A C 2.401 179.945 177.584 -0.067 0.000 1.170 513 A CA 1.586 53.626 52.037 0.005 0.000 0.636 513 A CB -1.222 17.805 19.000 0.046 0.000 0.810 513 A HN 0.311 nan 8.150 nan 0.000 0.448 514 A N 0.195 122.967 122.820 -0.080 0.000 1.927 514 A HA -0.202 4.119 4.320 0.003 0.000 0.220 514 A C 2.090 179.603 177.584 -0.119 0.000 1.185 514 A CA 1.818 53.801 52.037 -0.091 0.000 0.639 514 A CB -0.658 18.273 19.000 -0.116 0.000 0.820 514 A HN 0.543 nan 8.150 nan 0.000 0.451 515 I N -0.549 119.900 120.570 -0.202 0.000 2.315 515 I HA -0.220 3.952 4.170 0.003 0.000 0.248 515 I C 2.855 178.738 176.117 -0.391 0.000 1.117 515 I CA 0.913 62.036 61.300 -0.295 0.000 1.404 515 I CB -0.260 37.478 38.000 -0.436 0.000 1.071 515 I HN 0.351 nan 8.210 nan 0.000 0.419 516 A N 1.506 124.074 122.820 -0.421 0.000 2.015 516 A HA -0.161 4.161 4.320 0.003 0.000 0.219 516 A C 1.527 179.172 177.584 0.102 0.000 1.163 516 A CA 1.924 53.879 52.037 -0.137 0.000 0.646 516 A CB -0.523 18.525 19.000 0.081 0.000 0.806 516 A HN 0.627 nan 8.150 nan 0.000 0.448 517 N N -2.579 116.145 118.700 0.041 0.000 2.365 517 N HA 0.343 5.085 4.740 0.003 0.000 0.257 517 N C 0.633 176.184 175.510 0.069 0.000 1.287 517 N CA 0.589 53.690 53.050 0.086 0.000 0.882 517 N CB -0.014 38.509 38.487 0.060 0.000 1.250 517 N HN 0.636 nan 8.380 nan 0.000 0.507 518 G N -1.090 107.753 108.800 0.071 0.000 2.175 518 G HA2 -0.017 3.945 3.960 0.003 0.000 0.244 518 G HA3 -0.017 3.945 3.960 0.003 0.000 0.244 518 G C 0.705 175.623 174.900 0.030 0.000 0.982 518 G CA 0.101 45.243 45.100 0.071 0.000 0.641 518 G HN 1.487 nan 8.290 nan 0.000 0.527 519 G N -1.643 107.156 108.800 -0.001 0.000 2.145 519 G HA2 0.255 4.217 3.960 0.003 0.000 0.176 519 G HA3 0.255 4.217 3.960 0.003 0.000 0.176 519 G C 0.151 175.032 174.900 -0.031 0.000 1.013 519 G CA 1.119 46.201 45.100 -0.030 0.000 0.689 519 G HN 2.022 nan 8.290 nan 0.000 0.506 520 T N 0.189 114.732 114.554 -0.018 0.000 2.809 520 T HA 0.556 4.908 4.350 0.003 0.000 0.296 520 T C -0.169 174.517 174.700 -0.023 0.000 1.015 520 T CA -0.621 61.474 62.100 -0.008 0.000 0.954 520 T CB 0.508 69.382 68.868 0.010 0.000 0.950 520 T HN 0.815 nan 8.240 nan 0.000 0.450 521 Y N 5.227 125.405 120.300 -0.202 0.000 2.309 521 Y HA 0.538 5.090 4.550 0.003 0.000 0.327 521 Y C -0.064 175.700 175.900 -0.227 0.000 1.172 521 Y CA -0.438 57.503 58.100 -0.265 0.000 1.280 521 Y CB 0.713 38.923 38.460 -0.416 0.000 1.234 521 Y HN 0.596 nan 8.280 nan 0.000 0.512 522 N N 5.614 123.771 118.700 -0.905 0.000 2.675 522 N HA 0.014 4.756 4.740 0.003 0.000 0.254 522 N C -1.580 173.565 175.510 -0.609 0.000 1.224 522 N CA -0.630 52.083 53.050 -0.561 0.000 0.777 522 N CB 0.652 39.081 38.487 -0.097 0.000 1.256 522 N HN 0.719 nan 8.380 nan 0.000 0.531 523 N N 1.810 120.053 118.700 -0.763 0.000 1.939 523 N HA -0.183 4.559 4.740 0.003 0.000 0.301 523 N C 0.133 175.660 175.510 0.027 0.000 1.353 523 N CA 0.257 53.189 53.050 -0.197 0.000 0.851 523 N CB 0.290 38.831 38.487 0.090 0.000 1.153 523 N HN 0.542 nan 8.380 nan 0.000 0.496 524 A N 4.374 127.206 122.820 0.021 0.000 2.572 524 A HA 0.074 4.396 4.320 0.003 0.000 0.256 524 A C 0.037 177.710 177.584 0.149 0.000 1.041 524 A CA 0.459 52.514 52.037 0.030 0.000 0.790 524 A CB -0.614 18.396 19.000 0.017 0.000 0.947 524 A HN 0.938 nan 8.150 nan 0.000 0.518 525 H N -0.430 118.602 119.070 -0.064 0.000 2.710 525 H HA 0.769 5.327 4.556 0.003 0.000 0.361 525 H C 0.572 175.872 175.328 -0.047 0.000 1.175 525 H CA -0.433 55.624 56.048 0.015 0.000 1.206 525 H CB 1.699 31.449 29.762 -0.020 0.000 1.750 525 H HN 0.504 nan 8.280 nan 0.000 0.553 526 S N 1.081 116.820 115.700 0.065 0.000 2.658 526 S HA 0.223 4.694 4.470 0.003 0.000 0.277 526 S C -0.005 174.642 174.600 0.079 0.000 1.078 526 S CA -0.343 57.837 58.200 -0.033 0.000 1.124 526 S CB 0.142 63.266 63.200 -0.128 0.000 1.016 526 S HN 0.517 nan 8.310 nan 0.000 0.543 527 I N 2.713 123.320 120.570 0.061 0.000 2.321 527 I HA 0.372 4.544 4.170 0.003 0.000 0.291 527 I C 1.112 177.258 176.117 0.047 0.000 0.998 527 I CA -0.490 60.780 61.300 -0.050 0.000 1.227 527 I CB 1.799 39.547 38.000 -0.419 0.000 1.368 527 I HN 0.262 nan 8.210 nan 0.000 0.466 528 Q N 5.292 125.152 119.800 0.100 0.000 2.096 528 Q HA 0.001 4.342 4.340 0.003 0.000 0.197 528 Q C 0.022 176.124 176.000 0.169 0.000 0.964 528 Q CA 1.083 56.977 55.803 0.151 0.000 0.838 528 Q CB 0.341 29.163 28.738 0.139 0.000 0.906 528 Q HN 0.644 nan 8.270 nan 0.000 0.444 529 K N -1.755 118.736 120.400 0.151 0.000 2.711 529 K HA 0.475 4.797 4.320 0.003 0.000 0.294 529 K C -1.520 175.222 176.600 0.236 0.000 1.037 529 K CA -0.780 55.649 56.287 0.236 0.000 0.858 529 K CB 1.219 33.826 32.500 0.178 0.000 1.521 529 K HN -0.067 nan 8.250 nan 0.000 0.386 530 V N -1.036 119.075 119.914 0.328 0.000 2.789 530 V HA 0.754 4.876 4.120 0.003 0.000 0.311 530 V C -1.491 174.783 176.094 0.299 0.000 1.073 530 V CA -0.596 61.895 62.300 0.319 0.000 0.921 530 V CB 1.974 33.993 31.823 0.326 0.000 1.009 530 V HN 0.583 nan 8.190 nan 0.000 0.426 531 V N 4.685 124.767 119.914 0.280 0.000 2.409 531 V HA 0.615 4.737 4.120 0.003 0.000 0.291 531 V C 0.568 176.780 176.094 0.196 0.000 1.020 531 V CA 0.249 62.676 62.300 0.212 0.000 0.848 531 V CB 1.690 33.625 31.823 0.187 0.000 0.990 531 V HN 1.199 nan 8.190 nan 0.000 0.430 532 T N 1.811 116.469 114.554 0.173 0.000 2.909 532 T HA 0.362 4.714 4.350 0.003 0.000 0.286 532 T C 1.011 175.787 174.700 0.127 0.000 1.002 532 T CA -0.513 61.687 62.100 0.167 0.000 1.074 532 T CB 1.428 70.397 68.868 0.169 0.000 0.984 532 T HN 0.572 nan 8.240 nan 0.000 0.495 533 R N 0.817 121.391 120.500 0.124 0.000 2.127 533 R HA -0.124 4.218 4.340 0.003 0.000 0.238 533 R C 1.647 178.002 176.300 0.090 0.000 1.134 533 R CA 2.028 58.193 56.100 0.107 0.000 0.975 533 R CB -0.311 30.056 30.300 0.112 0.000 0.865 533 R HN 0.893 nan 8.270 nan 0.000 0.447 534 D N -1.898 118.554 120.400 0.086 0.000 2.363 534 D HA -0.015 4.627 4.640 0.003 0.000 0.220 534 D C 1.038 177.371 176.300 0.056 0.000 0.994 534 D CA 1.126 55.167 54.000 0.068 0.000 0.890 534 D CB 0.326 41.163 40.800 0.062 0.000 0.906 534 D HN 0.403 nan 8.370 nan 0.000 0.530 535 G N -0.203 108.634 108.800 0.061 0.000 2.205 535 G HA2 -0.179 3.783 3.960 0.003 0.000 0.180 535 G HA3 -0.179 3.783 3.960 0.003 0.000 0.180 535 G C -0.130 174.796 174.900 0.043 0.000 1.004 535 G CA -0.395 44.734 45.100 0.049 0.000 0.670 535 G HN 0.282 nan 8.290 nan 0.000 0.496 536 E N 0.549 120.778 120.200 0.050 0.000 2.212 536 E HA 0.679 5.031 4.350 0.003 0.000 0.270 536 E C -0.250 176.388 176.600 0.065 0.000 0.956 536 E CA 0.176 56.599 56.400 0.039 0.000 0.825 536 E CB 2.064 31.776 29.700 0.019 0.000 1.167 536 E HN 0.509 nan 8.360 nan 0.000 0.400 537 T N -0.114 114.475 114.554 0.058 0.000 3.293 537 T HA 0.499 4.851 4.350 0.003 0.000 0.320 537 T C -1.201 173.552 174.700 0.088 0.000 0.995 537 T CA -0.698 61.456 62.100 0.090 0.000 1.041 537 T CB -0.031 68.874 68.868 0.062 0.000 1.058 537 T HN 0.192 nan 8.240 nan 0.000 0.453 538 I N 4.040 124.699 120.570 0.149 0.000 2.330 538 I HA 0.382 4.554 4.170 0.003 0.000 0.289 538 I C 0.448 176.706 176.117 0.235 0.000 1.001 538 I CA -0.462 60.918 61.300 0.134 0.000 1.193 538 I CB 1.624 39.691 38.000 0.112 0.000 1.345 538 I HN 0.593 nan 8.210 nan 0.000 0.461 539 E N 5.535 125.827 120.200 0.153 0.000 2.259 539 E HA 0.221 4.573 4.350 0.003 0.000 0.281 539 E C -1.116 175.617 176.600 0.223 0.000 1.027 539 E CA -0.402 56.121 56.400 0.204 0.000 0.838 539 E CB 1.110 30.877 29.700 0.110 0.000 1.066 539 E HN 0.321 nan 8.360 nan 0.000 0.401 540 Y N 1.933 122.295 120.300 0.103 0.000 2.354 540 Y HA 0.119 4.670 4.550 0.003 0.000 0.322 540 Y C 0.870 176.825 175.900 0.090 0.000 1.253 540 Y CA -0.369 57.797 58.100 0.110 0.000 1.272 540 Y CB 0.942 39.491 38.460 0.149 0.000 1.255 540 Y HN 0.434 nan 8.280 nan 0.000 0.500 541 D N 0.014 120.525 120.400 0.184 0.000 2.531 541 D HA 0.260 4.902 4.640 0.003 0.000 0.244 541 D C -1.262 175.100 176.300 0.104 0.000 1.090 541 D CA -0.625 53.434 54.000 0.098 0.000 0.989 541 D CB 2.202 42.992 40.800 -0.017 0.000 1.433 541 D HN 0.696 nan 8.370 nan 0.000 0.492 542 H N -2.354 116.647 119.070 -0.114 0.000 2.717 542 H HA 0.345 4.903 4.556 0.003 0.000 0.366 542 H C -0.692 174.588 175.328 -0.080 0.000 1.132 542 H CA -0.725 55.249 56.048 -0.124 0.000 1.180 542 H CB 1.309 30.836 29.762 -0.392 0.000 1.678 542 H HN 0.373 nan 8.280 nan 0.000 0.537 543 T N 0.795 115.347 114.554 -0.005 0.000 2.961 543 T HA 0.156 4.508 4.350 0.003 0.000 0.270 543 T C 0.361 175.063 174.700 0.004 0.000 0.926 543 T CA -0.416 61.699 62.100 0.025 0.000 1.112 543 T CB -0.659 68.310 68.868 0.168 0.000 0.926 543 T HN 0.534 nan 8.240 nan 0.000 0.612 544 S N 3.342 118.947 115.700 -0.158 0.000 2.554 544 S HA 0.490 4.962 4.470 0.003 0.000 0.278 544 S C -0.536 174.079 174.600 0.024 0.000 1.242 544 S CA -0.798 57.324 58.200 -0.131 0.000 1.051 544 S CB 0.171 63.239 63.200 -0.220 0.000 0.986 544 S HN 1.005 nan 8.310 nan 0.000 0.502 545 H N 1.829 120.958 119.070 0.098 0.000 3.139 545 H HA 0.288 4.846 4.556 0.003 0.000 0.325 545 H C -1.412 173.943 175.328 0.044 0.000 1.146 545 H CA -0.980 55.098 56.048 0.051 0.000 1.351 545 H CB 0.450 30.226 29.762 0.025 0.000 2.005 545 H HN 0.474 nan 8.280 nan 0.000 0.517 546 K N 2.204 122.692 120.400 0.146 0.000 2.453 546 K HA 0.297 4.618 4.320 0.003 0.000 0.280 546 K C -0.190 176.456 176.600 0.077 0.000 1.045 546 K CA 0.508 56.838 56.287 0.072 0.000 1.059 546 K CB 0.335 32.860 32.500 0.041 0.000 0.901 546 K HN 0.679 nan 8.250 nan 0.000 0.475 550 D N 1.509 121.865 120.400 -0.073 0.000 2.149 550 D HA -0.239 4.403 4.640 0.003 0.000 0.198 550 D C 1.696 178.047 176.300 0.086 0.000 0.990 550 D CA 2.251 56.268 54.000 0.029 0.000 0.839 550 D CB -1.020 39.828 40.800 0.080 0.000 0.948 550 D HN 0.819 nan 8.370 nan 0.000 0.460 551 Y N 0.415 120.784 120.300 0.114 0.000 2.145 551 Y HA -0.067 4.485 4.550 0.002 0.000 0.286 551 Y C 2.403 178.413 175.900 0.183 0.000 1.145 551 Y CA 1.420 59.610 58.100 0.150 0.000 1.148 551 Y CB -1.331 37.193 38.460 0.107 0.000 0.981 551 Y HN -0.106 nan 8.280 nan 0.000 0.507 552 T N 1.066 115.454 114.554 -0.277 0.000 2.720 552 T HA -0.222 4.130 4.350 0.003 0.000 0.268 552 T C 2.220 176.947 174.700 0.045 0.000 1.037 552 T CA 1.802 63.854 62.100 -0.081 0.000 1.144 552 T CB -0.756 68.003 68.868 -0.181 0.000 0.864 552 T HN 0.598 nan 8.240 nan 0.000 0.444 553 A N 0.197 123.034 122.820 0.027 0.000 1.969 553 A HA 0.068 4.390 4.320 0.003 0.000 0.218 553 A C 1.201 178.826 177.584 0.069 0.000 1.169 553 A CA 0.667 52.727 52.037 0.038 0.000 0.635 553 A CB -0.684 18.327 19.000 0.019 0.000 0.810 553 A HN 0.600 nan 8.150 nan 0.000 0.445 557 A N -0.079 122.692 122.820 -0.081 0.000 1.845 557 A HA -0.016 4.306 4.320 0.003 0.000 0.215 557 A C 1.194 178.740 177.584 -0.064 0.000 1.195 557 A CA 1.219 53.155 52.037 -0.169 0.000 0.616 557 A CB -0.336 18.301 19.000 -0.606 0.000 0.832 557 A HN 0.338 nan 8.150 nan 0.000 0.443 561 K N 0.983 121.428 120.400 0.077 0.000 2.362 561 K HA -0.002 4.320 4.320 0.003 0.000 0.200 561 K C 1.867 178.547 176.600 0.134 0.000 1.046 561 K CA 1.302 57.684 56.287 0.158 0.000 0.952 561 K CB -0.112 32.519 32.500 0.219 0.000 0.753 561 K HN 0.386 nan 8.250 nan 0.000 0.466 562 G N 0.350 109.197 108.800 0.079 0.000 2.598 562 G HA2 -0.173 3.789 3.960 0.003 0.000 0.215 562 G HA3 -0.173 3.789 3.960 0.003 0.000 0.215 562 G C 1.244 176.056 174.900 -0.147 0.000 1.131 562 G CA 0.743 45.849 45.100 0.010 0.000 0.785 562 G HN 0.203 nan 8.290 nan 0.000 0.539 563 T N 0.677 115.079 114.554 -0.253 0.000 2.867 563 T HA -0.048 4.303 4.350 0.003 0.000 0.268 563 T C 1.797 176.285 174.700 -0.353 0.000 1.057 563 T CA 0.628 62.493 62.100 -0.392 0.000 1.136 563 T CB -0.289 68.229 68.868 -0.583 0.000 0.874 563 T HN 0.368 nan 8.240 nan 0.000 0.466 564 F N 0.826 120.749 119.950 -0.044 0.000 2.743 564 F HA 0.194 4.723 4.527 0.003 0.000 0.297 564 F C 1.381 177.243 175.800 0.103 0.000 1.131 564 F CA -0.033 57.963 58.000 -0.006 0.000 1.426 564 F CB 0.076 39.051 39.000 -0.041 0.000 1.116 564 F HN -0.175 nan 8.300 nan 0.000 0.583 565 K N 1.158 121.700 120.400 0.237 0.000 2.138 565 K HA 0.192 4.514 4.320 0.003 0.000 0.251 565 K C -2.369 174.328 176.600 0.161 0.000 1.015 565 K CA -1.685 54.734 56.287 0.220 0.000 0.917 565 K CB -0.180 32.413 32.500 0.154 0.000 1.021 565 K HN -0.208 nan 8.250 nan 0.000 0.485 566 P HA -0.105 nan 4.420 nan 0.000 0.263 566 P C -0.550 176.565 177.300 -0.309 0.000 1.175 566 P CA 0.825 63.595 63.100 -0.550 0.000 0.761 566 P CB 0.001 31.382 31.700 -0.532 0.000 0.794 567 Y N -0.949 119.177 120.300 -0.290 0.000 4.545 567 Y HA -0.275 4.277 4.550 0.004 0.000 0.306 567 Y C 1.460 177.267 175.900 -0.156 0.000 1.060 567 Y CA 0.671 58.658 58.100 -0.189 0.000 1.834 567 Y CB -2.039 36.344 38.460 -0.128 0.000 1.008 567 Y HN 0.547 nan 8.280 nan 0.000 0.436 568 G N 0.867 109.670 108.800 0.006 0.000 2.554 568 G HA2 0.277 4.239 3.960 0.003 0.000 0.238 568 G HA3 0.277 4.239 3.960 0.003 0.000 0.238 568 G C 0.869 175.733 174.900 -0.061 0.000 1.259 568 G CA 0.146 45.203 45.100 -0.072 0.000 0.843 568 G HN 0.622 nan 8.290 nan 0.000 0.582 569 S N 0.236 115.847 115.700 -0.149 0.000 2.547 569 S HA 0.138 4.610 4.470 0.003 0.000 0.235 569 S C 1.514 176.067 174.600 -0.080 0.000 0.980 569 S CA 0.950 59.084 58.200 -0.109 0.000 0.941 569 S CB 0.208 63.303 63.200 -0.174 0.000 0.763 569 S HN 1.221 nan 8.310 nan 0.000 0.532 570 A N -0.147 122.591 122.820 -0.136 0.000 2.616 570 A HA 0.433 4.755 4.320 0.003 0.000 0.294 570 A C -0.048 177.603 177.584 0.112 0.000 1.091 570 A CA -0.750 51.227 52.037 -0.100 0.000 0.971 570 A CB -0.412 18.345 19.000 -0.405 0.000 1.222 570 A HN 0.542 nan 8.150 nan 0.000 0.521 571 Y N 0.674 120.990 120.300 0.026 0.000 2.702 571 Y HA 0.287 4.842 4.550 0.008 0.000 0.336 571 Y C 1.402 177.291 175.900 -0.019 0.000 1.235 571 Y CA 1.800 59.924 58.100 0.039 0.000 1.492 571 Y CB 0.445 38.887 38.460 -0.029 0.000 1.308 571 Y HN 0.731 nan 8.280 nan 0.000 0.589 572 G N 3.489 111.656 108.800 -1.055 0.000 2.194 572 G HA2 -0.266 3.695 3.960 0.003 0.000 0.236 572 G HA3 -0.266 3.695 3.960 0.003 0.000 0.236 572 G C 0.478 174.849 174.900 -0.881 0.000 0.987 572 G CA 0.311 44.790 45.100 -1.035 0.000 0.635 572 G HN 0.769 nan 8.290 nan 0.000 0.520 573 H N 0.587 119.514 119.070 -0.239 0.000 2.923 573 H HA 0.381 4.939 4.556 0.003 0.000 0.268 573 H C 1.704 176.902 175.328 -0.216 0.000 1.148 573 H CA 0.278 56.222 56.048 -0.172 0.000 1.146 573 H CB 0.510 30.201 29.762 -0.119 0.000 1.607 573 H HN 0.515 nan 8.280 nan 0.000 0.566 574 G N 1.284 109.885 108.800 -0.331 0.000 2.664 574 G HA2 0.304 4.266 3.960 0.003 0.000 0.242 574 G HA3 0.304 4.266 3.960 0.003 0.000 0.242 574 G C 0.099 174.711 174.900 -0.480 0.000 1.225 574 G CA -0.159 44.432 45.100 -0.848 0.000 0.849 574 G HN 0.037 nan 8.290 nan 0.000 0.581 575 V N 0.046 119.685 119.914 -0.458 0.000 2.769 575 V HA 0.421 4.543 4.120 0.003 0.000 0.312 575 V C 1.226 177.193 176.094 -0.212 0.000 1.058 575 V CA -0.064 62.073 62.300 -0.273 0.000 0.952 575 V CB 1.406 33.090 31.823 -0.231 0.000 1.019 575 V HN 0.863 nan 8.190 nan 0.000 0.445 576 S N 2.709 118.317 115.700 -0.154 0.000 2.325 576 S HA -0.011 4.460 4.470 0.003 0.000 0.214 576 S C 1.706 176.249 174.600 -0.096 0.000 1.031 576 S CA 1.557 59.686 58.200 -0.118 0.000 0.972 576 S CB -0.543 62.600 63.200 -0.096 0.000 0.908 576 S HN 1.097 nan 8.310 nan 0.000 0.453 577 G N 0.755 109.504 108.800 -0.086 0.000 3.141 577 G HA2 0.360 4.321 3.960 0.003 0.000 0.218 577 G HA3 0.360 4.321 3.960 0.003 0.000 0.218 577 G C -0.192 174.659 174.900 -0.082 0.000 1.170 577 G CA -0.025 45.032 45.100 -0.072 0.000 0.769 577 G HN 0.391 nan 8.290 nan 0.000 0.546 578 V N 1.527 121.379 119.914 -0.102 0.000 2.495 578 V HA 0.341 4.463 4.120 0.003 0.000 0.298 578 V C -0.553 175.464 176.094 -0.129 0.000 1.031 578 V CA -1.334 60.899 62.300 -0.112 0.000 0.871 578 V CB 1.575 33.331 31.823 -0.112 0.000 0.988 578 V HN 0.176 nan 8.190 nan 0.000 0.432 582 A N 0.444 122.926 122.820 -0.563 0.000 2.606 582 A HA 0.883 5.205 4.320 0.003 0.000 0.293 582 A C -1.395 175.955 177.584 -0.391 0.000 1.082 582 A CA -0.708 51.005 52.037 -0.540 0.000 0.685 582 A CB 2.366 20.926 19.000 -0.733 0.000 1.284 582 A HN 0.614 nan 8.150 nan 0.000 0.408 583 K N 1.429 121.643 120.400 -0.310 0.000 2.376 583 K HA 0.584 4.906 4.320 0.003 0.000 0.257 583 K C 0.202 176.659 176.600 -0.237 0.000 0.939 583 K CA 0.076 56.240 56.287 -0.205 0.000 0.809 583 K CB 1.640 34.146 32.500 0.009 0.000 1.121 583 K HN 1.061 nan 8.250 nan 0.000 0.425 584 T N -0.499 113.920 114.554 -0.226 0.000 2.833 584 T HA 0.744 5.096 4.350 0.003 0.000 0.292 584 T C 0.453 175.110 174.700 -0.073 0.000 1.031 584 T CA -0.629 61.370 62.100 -0.170 0.000 0.937 584 T CB 1.333 70.082 68.868 -0.198 0.000 1.256 584 T HN 0.515 nan 8.240 nan 0.000 0.551 585 G N -0.865 107.939 108.800 0.006 0.000 2.746 585 G HA2 0.537 4.499 3.960 0.003 0.000 0.297 585 G HA3 0.537 4.499 3.960 0.003 0.000 0.297 585 G C -1.226 173.746 174.900 0.119 0.000 1.426 585 G CA -0.737 44.404 45.100 0.069 0.000 0.989 585 G HN 0.788 nan 8.290 nan 0.000 0.520 586 T N 1.099 115.722 114.554 0.115 0.000 3.160 586 T HA 0.537 4.889 4.350 0.003 0.000 0.344 586 T C 0.498 175.319 174.700 0.201 0.000 0.981 586 T CA -0.197 61.984 62.100 0.135 0.000 1.170 586 T CB 1.006 69.902 68.868 0.045 0.000 1.016 586 T HN 0.934 nan 8.240 nan 0.000 0.492 587 G N 2.298 111.246 108.800 0.246 0.000 2.467 587 G HA2 0.550 4.511 3.960 0.003 0.000 0.257 587 G HA3 0.550 4.511 3.960 0.003 0.000 0.257 587 G C 0.227 175.230 174.900 0.171 0.000 1.227 587 G CA -0.314 44.920 45.100 0.223 0.000 0.835 587 G HN 0.648 nan 8.290 nan 0.000 0.556 588 T N -1.101 113.553 114.554 0.167 0.000 2.910 588 T HA 0.627 4.979 4.350 0.003 0.000 0.287 588 T C -0.408 174.341 174.700 0.082 0.000 1.050 588 T CA -0.799 61.421 62.100 0.200 0.000 1.011 588 T CB 1.197 70.307 68.868 0.403 0.000 1.195 588 T HN 0.399 nan 8.240 nan 0.000 0.540 589 Y N -0.127 120.286 120.300 0.188 0.000 2.340 589 Y HA 0.559 5.110 4.550 0.002 0.000 0.327 589 Y C 1.627 177.659 175.900 0.219 0.000 1.321 589 Y CA -0.443 57.696 58.100 0.066 0.000 1.433 589 Y CB 0.248 38.548 38.460 -0.266 0.000 1.373 589 Y HN 1.033 nan 8.280 nan 0.000 0.538 590 G N -0.372 108.630 108.800 0.337 0.000 2.594 590 G HA2 0.286 4.248 3.960 0.003 0.000 0.243 590 G HA3 0.286 4.248 3.960 0.003 0.000 0.243 590 G C 0.805 175.916 174.900 0.352 0.000 1.229 590 G CA -0.026 45.245 45.100 0.285 0.000 0.843 590 G HN 0.898 nan 8.290 nan 0.000 0.578 591 A N 0.710 123.697 122.820 0.278 0.000 1.917 591 A HA -0.107 4.215 4.320 0.003 0.000 0.219 591 A C 2.201 179.920 177.584 0.224 0.000 1.182 591 A CA 2.041 54.225 52.037 0.246 0.000 0.633 591 A CB -0.324 18.748 19.000 0.120 0.000 0.819 591 A HN 0.660 nan 8.150 nan 0.000 0.448 592 E N -0.417 119.880 120.200 0.162 0.000 2.085 592 E HA -0.153 4.199 4.350 0.003 0.000 0.194 592 E C 2.036 178.705 176.600 0.116 0.000 0.994 592 E CA 1.722 58.190 56.400 0.113 0.000 0.801 592 E CB -1.118 28.635 29.700 0.088 0.000 0.743 592 E HN 0.579 nan 8.360 nan 0.000 0.453 593 T N 0.925 115.560 114.554 0.136 0.000 2.788 593 T HA -0.133 4.218 4.350 0.003 0.000 0.268 593 T C 1.688 176.365 174.700 -0.038 0.000 1.044 593 T CA 1.009 63.150 62.100 0.069 0.000 1.139 593 T CB -0.437 68.445 68.868 0.024 0.000 0.867 593 T HN 0.181 nan 8.240 nan 0.000 0.454 594 Y N 2.271 122.573 120.300 0.003 0.000 2.069 594 Y HA -0.253 4.299 4.550 0.004 0.000 0.278 594 Y C 3.054 178.916 175.900 -0.063 0.000 1.175 594 Y CA 1.843 59.918 58.100 -0.042 0.000 1.134 594 Y CB -0.619 37.844 38.460 0.005 0.000 0.965 594 Y HN 0.287 nan 8.280 nan 0.000 0.498 595 S N -0.490 115.272 115.700 0.104 0.000 2.345 595 S HA -0.290 4.181 4.470 0.003 0.000 0.220 595 S C 1.957 176.513 174.600 -0.074 0.000 1.031 595 S CA 1.206 59.409 58.200 0.005 0.000 0.996 595 S CB -0.919 62.287 63.200 0.009 0.000 0.882 595 S HN 0.544 nan 8.310 nan 0.000 0.445 596 Q N 0.210 119.963 119.800 -0.078 0.000 2.197 596 Q HA -0.199 4.143 4.340 0.003 0.000 0.211 596 Q C 0.702 176.464 176.000 -0.397 0.000 0.993 596 Q CA 1.750 57.425 55.803 -0.214 0.000 0.883 596 Q CB -0.175 28.448 28.738 -0.191 0.000 0.916 596 Q HN 0.808 nan 8.270 nan 0.000 0.418 597 Y N -0.541 119.633 120.300 -0.209 0.000 2.612 597 Y HA 0.245 4.796 4.550 0.003 0.000 0.250 597 Y C -0.112 175.546 175.900 -0.403 0.000 1.175 597 Y CA -0.508 57.428 58.100 -0.273 0.000 1.205 597 Y CB 0.741 39.020 38.460 -0.301 0.000 1.201 597 Y HN 0.100 nan 8.280 nan 0.000 0.532 598 N N 0.888 119.412 118.700 -0.293 0.000 2.721 598 N HA -0.213 4.529 4.740 0.003 0.000 0.249 598 N C -0.784 174.494 175.510 -0.386 0.000 1.072 598 N CA 0.703 53.471 53.050 -0.470 0.000 0.710 598 N CB -1.455 36.393 38.487 -1.066 0.000 0.993 598 N HN 0.394 nan 8.380 nan 0.000 0.547 599 L N 1.337 122.441 121.223 -0.197 0.000 2.367 599 L HA 0.265 4.607 4.340 0.003 0.000 0.275 599 L C -1.324 175.592 176.870 0.077 0.000 1.129 599 L CA -1.314 53.448 54.840 -0.130 0.000 0.839 599 L CB 0.187 42.037 42.059 -0.348 0.000 1.133 599 L HN -0.104 nan 8.230 nan 0.000 0.453 600 P HA -0.011 nan 4.420 nan 0.000 0.270 600 P C 0.046 177.493 177.300 0.245 0.000 1.223 600 P CA -0.325 62.872 63.100 0.162 0.000 0.785 600 P CB 0.930 32.721 31.700 0.152 0.000 0.923 601 D N 1.038 121.526 120.400 0.146 0.000 2.149 601 D HA -0.161 4.480 4.640 0.003 0.000 0.194 601 D C 0.946 177.317 176.300 0.118 0.000 1.001 601 D CA 1.469 55.493 54.000 0.039 0.000 0.849 601 D CB -0.191 40.576 40.800 -0.055 0.000 0.939 601 D HN 0.524 nan 8.370 nan 0.000 0.449 602 N N 0.354 119.158 118.700 0.174 0.000 2.597 602 N HA 0.194 4.936 4.740 0.003 0.000 0.269 602 N C -0.702 175.032 175.510 0.372 0.000 1.204 602 N CA -0.202 53.010 53.050 0.270 0.000 0.947 602 N CB 0.247 38.900 38.487 0.277 0.000 1.258 602 N HN -0.108 nan 8.380 nan 0.000 0.508 603 A N -0.152 122.920 122.820 0.421 0.000 2.317 603 A HA 0.837 5.159 4.320 0.003 0.000 0.327 603 A C -0.344 177.556 177.584 0.526 0.000 1.178 603 A CA -0.663 51.618 52.037 0.407 0.000 0.817 603 A CB 1.103 20.264 19.000 0.269 0.000 1.189 603 A HN 0.482 nan 8.150 nan 0.000 0.489 604 A N 1.596 124.700 122.820 0.473 0.000 2.374 604 A HA 0.652 4.974 4.320 0.003 0.000 0.317 604 A C 0.644 178.382 177.584 0.256 0.000 1.094 604 A CA -0.465 51.799 52.037 0.378 0.000 0.765 604 A CB 1.306 20.534 19.000 0.381 0.000 1.268 604 A HN 0.935 nan 8.150 nan 0.000 0.438 605 K N 0.293 120.589 120.400 -0.172 0.000 2.128 605 K HA 0.049 4.371 4.320 0.003 0.000 0.202 605 K C -0.678 176.058 176.600 0.228 0.000 1.050 605 K CA 0.958 57.067 56.287 -0.296 0.000 0.966 605 K CB 0.221 32.241 32.500 -0.800 0.000 0.759 605 K HN 0.758 nan 8.250 nan 0.000 0.454 606 D N 1.191 121.755 120.400 0.273 0.000 2.757 606 D HA 0.185 4.827 4.640 0.003 0.000 0.249 606 D C -1.159 175.249 176.300 0.179 0.000 1.168 606 D CA -0.425 53.764 54.000 0.316 0.000 0.870 606 D CB 2.342 43.486 40.800 0.573 0.000 1.411 606 D HN 0.038 nan 8.370 nan 0.000 0.525 607 V N -0.967 118.821 119.914 -0.209 0.000 2.604 607 V HA 0.819 4.941 4.120 0.003 0.000 0.305 607 V C -1.319 174.626 176.094 -0.247 0.000 1.043 607 V CA -0.666 61.489 62.300 -0.241 0.000 0.888 607 V CB 1.899 33.344 31.823 -0.629 0.000 0.995 607 V HN 0.408 nan 8.190 nan 0.000 0.429 608 W N 3.088 124.294 121.300 -0.158 0.000 2.882 608 W HA 0.833 5.494 4.660 0.003 0.000 0.345 608 W C -0.616 175.797 176.519 -0.177 0.000 1.125 608 W CA -0.799 56.492 57.345 -0.091 0.000 1.167 608 W CB 1.943 31.426 29.460 0.039 0.000 1.431 608 W HN 0.727 nan 8.180 nan 0.000 0.543 609 I N 2.717 123.329 120.570 0.071 0.000 2.533 609 I HA 0.392 4.564 4.170 0.003 0.000 0.290 609 I C -1.153 174.920 176.117 -0.073 0.000 1.056 609 I CA -0.827 60.401 61.300 -0.120 0.000 1.057 609 I CB 1.256 39.052 38.000 -0.339 0.000 1.240 609 I HN 0.397 nan 8.210 nan 0.000 0.423 610 N N 6.309 124.867 118.700 -0.237 0.000 2.564 610 N HA 0.410 5.152 4.740 0.003 0.000 0.248 610 N C -0.531 174.692 175.510 -0.479 0.000 0.986 610 N CA -0.358 52.466 53.050 -0.376 0.000 0.921 610 N CB 2.106 40.108 38.487 -0.809 0.000 1.136 610 N HN 0.726 nan 8.380 nan 0.000 0.509 611 G N 1.108 109.809 108.800 -0.164 0.000 2.473 611 G HA2 0.797 4.759 3.960 0.003 0.000 0.321 611 G HA3 0.797 4.759 3.960 0.003 0.000 0.321 611 G C -1.123 173.976 174.900 0.332 0.000 1.200 611 G CA -0.599 44.484 45.100 -0.028 0.000 0.963 611 G HN 0.402 nan 8.290 nan 0.000 0.483 612 F N -0.724 119.405 119.950 0.297 0.000 2.622 612 F HA 0.700 5.229 4.527 0.003 0.000 0.318 612 F C -0.060 175.990 175.800 0.417 0.000 1.135 612 F CA -1.128 57.066 58.000 0.323 0.000 1.015 612 F CB 1.113 40.281 39.000 0.280 0.000 1.275 612 F HN 0.711 nan 8.300 nan 0.000 0.457 613 T N -1.111 113.732 114.554 0.482 0.000 2.893 613 T HA 0.578 4.930 4.350 0.003 0.000 0.279 613 T C -2.410 172.567 174.700 0.461 0.000 0.991 613 T CA -2.276 60.040 62.100 0.360 0.000 0.950 613 T CB 1.830 70.779 68.868 0.135 0.000 1.223 613 T HN 0.377 nan 8.240 nan 0.000 0.585 614 P HA 0.060 nan 4.420 nan 0.000 0.229 614 P C 1.392 178.746 177.300 0.090 0.000 1.160 614 P CA 0.568 63.800 63.100 0.221 0.000 0.777 614 P CB 0.160 31.879 31.700 0.031 0.000 0.814 615 Q N -1.371 118.421 119.800 -0.014 0.000 2.036 615 Q HA -0.003 4.338 4.340 0.003 0.000 0.195 615 Q C -0.092 175.773 176.000 -0.225 0.000 0.971 615 Q CA 0.945 56.606 55.803 -0.237 0.000 0.826 615 Q CB 0.105 28.576 28.738 -0.445 0.000 0.896 615 Q HN 0.203 nan 8.270 nan 0.000 0.449 616 Y N -0.585 119.782 120.300 0.111 0.000 2.499 616 Y HA 0.407 4.959 4.550 0.003 0.000 0.347 616 Y C -0.320 175.690 175.900 0.184 0.000 0.987 616 Y CA -1.249 56.912 58.100 0.101 0.000 1.044 616 Y CB 2.597 41.083 38.460 0.043 0.000 1.245 616 Y HN -0.082 nan 8.280 nan 0.000 0.461 620 V N 5.635 125.650 119.914 0.168 0.000 2.513 620 V HA 0.745 4.867 4.120 0.003 0.000 0.299 620 V C -0.037 176.005 176.094 -0.085 0.000 1.035 620 V CA -0.514 61.814 62.300 0.046 0.000 0.889 620 V CB 1.503 33.327 31.823 0.001 0.000 0.988 620 V HN 0.878 nan 8.190 nan 0.000 0.440 624 F N 0.459 120.418 119.950 0.015 0.000 2.532 624 F HA 0.471 5.000 4.527 0.002 0.000 0.321 624 F C 1.756 177.626 175.800 0.118 0.000 1.089 624 F CA 0.148 58.156 58.000 0.013 0.000 0.926 624 F CB 2.538 41.483 39.000 -0.091 0.000 1.168 624 F HN 0.619 nan 8.300 nan 0.000 0.459 625 S N 1.438 117.306 115.700 0.280 0.000 2.381 625 S HA -0.211 4.260 4.470 0.003 0.000 0.230 625 S C 0.454 175.155 174.600 0.169 0.000 1.052 625 S CA 1.369 59.691 58.200 0.203 0.000 1.068 625 S CB -0.157 63.129 63.200 0.142 0.000 0.918 625 S HN 0.672 nan 8.310 nan 0.000 0.448 626 K N -0.642 119.844 120.400 0.144 0.000 2.572 626 K HA 0.501 4.822 4.320 0.003 0.000 0.263 626 K C -1.588 174.983 176.600 -0.049 0.000 0.932 626 K CA -0.612 55.708 56.287 0.055 0.000 0.838 626 K CB 2.372 34.895 32.500 0.039 0.000 1.366 626 K HN 0.087 nan 8.250 nan 0.000 0.425 627 V N 4.005 123.819 119.914 -0.167 0.000 2.614 627 V HA 0.353 4.475 4.120 0.003 0.000 0.291 627 V C -0.736 175.059 176.094 -0.498 0.000 1.049 627 V CA 0.516 62.574 62.300 -0.402 0.000 1.038 627 V CB 0.656 32.095 31.823 -0.641 0.000 0.980 627 V HN 0.751 nan 8.190 nan 0.000 0.481 628 K N 3.813 123.974 120.400 -0.397 0.000 2.279 628 K HA 0.525 4.846 4.320 0.003 0.000 0.238 628 K C -1.076 175.463 176.600 -0.102 0.000 1.084 628 K CA -1.038 55.143 56.287 -0.176 0.000 0.885 628 K CB 1.091 33.523 32.500 -0.113 0.000 1.319 628 K HN 0.598 nan 8.250 nan 0.000 0.494 629 Q N 0.138 119.976 119.800 0.063 0.000 2.340 629 Q HA 0.118 4.459 4.340 0.003 0.000 0.249 629 Q C -1.096 174.975 176.000 0.118 0.000 0.957 629 Q CA 0.620 56.485 55.803 0.104 0.000 0.882 629 Q CB 0.156 29.020 28.738 0.211 0.000 1.235 629 Q HN 0.523 nan 8.270 nan 0.000 0.439 630 Y N 1.141 121.427 120.300 -0.023 0.000 4.236 630 Y HA -0.330 4.221 4.550 0.002 0.000 0.220 630 Y C 1.105 176.969 175.900 -0.060 0.000 1.115 630 Y CA 1.164 59.247 58.100 -0.029 0.000 1.811 630 Y CB -1.731 36.722 38.460 -0.011 0.000 1.581 630 Y HN 0.934 nan 8.280 nan 0.000 0.643 631 G N -1.081 107.693 108.800 -0.042 0.000 2.157 631 G HA2 -0.353 3.609 3.960 0.003 0.000 0.248 631 G HA3 -0.353 3.609 3.960 0.003 0.000 0.248 631 G C 0.860 175.660 174.900 -0.167 0.000 0.979 631 G CA 0.410 45.446 45.100 -0.106 0.000 0.650 631 G HN 0.414 nan 8.290 nan 0.000 0.529 632 E N 0.517 120.632 120.200 -0.141 0.000 2.070 632 E HA -0.134 4.217 4.350 0.003 0.000 0.197 632 E C 1.100 177.448 176.600 -0.420 0.000 1.004 632 E CA 1.400 57.697 56.400 -0.173 0.000 0.805 632 E CB -0.097 29.542 29.700 -0.103 0.000 0.744 632 E HN 0.536 nan 8.360 nan 0.000 0.451 633 N N 0.288 118.594 118.700 -0.657 0.000 2.671 633 N HA 0.140 4.882 4.740 0.003 0.000 0.303 633 N C -1.242 173.340 175.510 -1.546 0.000 1.351 633 N CA -0.026 52.106 53.050 -1.531 0.000 0.991 633 N CB 0.954 38.927 38.487 -0.857 0.000 1.307 633 N HN -0.120 nan 8.380 nan 0.000 0.512 634 S N -0.676 114.423 115.700 -1.001 0.000 2.740 634 S HA 0.541 5.013 4.470 0.003 0.000 0.300 634 S C -0.644 173.741 174.600 -0.359 0.000 1.147 634 S CA -0.646 57.257 58.200 -0.496 0.000 0.871 634 S CB 1.129 64.282 63.200 -0.078 0.000 1.173 634 S HN 0.124 nan 8.310 nan 0.000 0.510 635 F N 1.615 121.710 119.950 0.242 0.000 2.291 635 F HA 0.412 4.940 4.527 0.003 0.000 0.368 635 F C -0.335 175.551 175.800 0.143 0.000 1.085 635 F CA -0.715 57.401 58.000 0.193 0.000 1.165 635 F CB 0.618 39.703 39.000 0.142 0.000 1.429 635 F HN 0.081 nan 8.300 nan 0.000 0.503 636 V N 3.406 123.465 119.914 0.242 0.000 2.385 636 V HA 0.752 4.873 4.120 0.003 0.000 0.269 636 V C 0.576 176.777 176.094 0.179 0.000 1.043 636 V CA -0.484 61.939 62.300 0.205 0.000 0.906 636 V CB 0.395 32.309 31.823 0.151 0.000 0.995 636 V HN 0.996 nan 8.190 nan 0.000 0.467 637 G N 3.430 112.355 108.800 0.209 0.000 2.781 637 G HA2 -0.232 3.730 3.960 0.003 0.000 0.683 637 G HA3 -0.232 3.730 3.960 0.003 0.000 0.683 637 G C 0.196 175.182 174.900 0.143 0.000 1.390 637 G CA 0.413 45.626 45.100 0.188 0.000 0.850 637 G HN 0.973 nan 8.290 nan 0.000 0.557 638 H N 0.358 119.456 119.070 0.046 0.000 2.387 638 H HA -0.024 4.535 4.556 0.006 0.000 0.299 638 H C 2.896 178.208 175.328 -0.027 0.000 1.099 638 H CA 2.993 59.039 56.048 -0.002 0.000 1.315 638 H CB -0.027 29.747 29.762 0.020 0.000 1.380 638 H HN 0.633 nan 8.280 nan 0.000 0.513 639 S N -0.877 114.836 115.700 0.023 0.000 2.423 639 S HA -0.124 4.348 4.470 0.003 0.000 0.231 639 S C 1.832 176.259 174.600 -0.287 0.000 1.014 639 S CA 1.449 59.617 58.200 -0.053 0.000 0.965 639 S CB -0.037 63.189 63.200 0.043 0.000 0.785 639 S HN 0.607 nan 8.310 nan 0.000 0.495 640 Q N -0.547 119.062 119.800 -0.317 0.000 2.396 640 Q HA 0.200 4.542 4.340 0.003 0.000 0.220 640 Q C 2.050 177.664 176.000 -0.643 0.000 0.900 640 Q CA 0.283 55.697 55.803 -0.648 0.000 0.925 640 Q CB 0.121 28.831 28.738 -0.047 0.000 1.065 640 Q HN 0.563 nan 8.270 nan 0.000 0.535 641 Q N 0.445 120.045 119.800 -0.333 0.000 2.369 641 Q HA -0.120 4.222 4.340 0.003 0.000 0.206 641 Q C 1.291 177.016 176.000 -0.458 0.000 0.963 641 Q CA 0.659 56.252 55.803 -0.350 0.000 0.894 641 Q CB 0.240 28.880 28.738 -0.163 0.000 0.965 641 Q HN 0.304 nan 8.270 nan 0.000 0.475 642 E N -0.216 119.696 120.200 -0.480 0.000 2.435 642 E HA -0.114 4.238 4.350 0.003 0.000 0.195 642 E C 0.851 177.349 176.600 -0.170 0.000 1.029 642 E CA 0.098 56.284 56.400 -0.356 0.000 0.865 642 E CB 0.130 29.686 29.700 -0.240 0.000 0.833 642 E HN 0.481 nan 8.360 nan 0.000 0.510 643 Y N 0.851 121.042 120.300 -0.181 0.000 2.102 643 Y HA -0.211 4.342 4.550 0.004 0.000 0.280 643 Y C -0.436 175.263 175.900 -0.336 0.000 1.178 643 Y CA 1.079 59.060 58.100 -0.198 0.000 1.146 643 Y CB -1.112 37.225 38.460 -0.205 0.000 0.968 643 Y HN 0.299 nan 8.280 nan 0.000 0.504 644 P HA -0.173 nan 4.420 nan 0.000 0.222 644 P C 0.644 177.770 177.300 -0.289 0.000 1.147 644 P CA 1.574 64.498 63.100 -0.294 0.000 0.790 644 P CB -0.055 31.471 31.700 -0.290 0.000 0.780 645 Q N -1.439 118.150 119.800 -0.351 0.000 2.172 645 Q HA -0.084 4.257 4.340 0.003 0.000 0.200 645 Q C 2.026 177.708 176.000 -0.530 0.000 0.964 645 Q CA 1.065 56.579 55.803 -0.483 0.000 0.855 645 Q CB -0.530 27.716 28.738 -0.820 0.000 0.918 645 Q HN 0.226 nan 8.270 nan 0.000 0.444 646 F N 0.335 119.927 119.950 -0.596 0.000 2.102 646 F HA -0.221 4.308 4.527 0.003 0.000 0.298 646 F C 2.061 177.518 175.800 -0.571 0.000 1.105 646 F CA 0.875 58.575 58.000 -0.501 0.000 1.239 646 F CB -0.386 38.313 39.000 -0.501 0.000 0.991 646 F HN 0.117 nan 8.300 nan 0.000 0.474 647 L N -0.859 119.953 121.223 -0.685 0.000 2.056 647 L HA -0.222 4.120 4.340 0.003 0.000 0.207 647 L C 2.210 178.983 176.870 -0.161 0.000 1.078 647 L CA 1.709 56.260 54.840 -0.481 0.000 0.749 647 L CB -1.199 40.598 42.059 -0.437 0.000 0.901 647 L HN 0.259 nan 8.230 nan 0.000 0.433 648 Y N 0.497 120.653 120.300 -0.240 0.000 2.114 648 Y HA -0.281 4.272 4.550 0.004 0.000 0.284 648 Y C 2.673 178.499 175.900 -0.124 0.000 1.143 648 Y CA 2.340 60.351 58.100 -0.147 0.000 1.135 648 Y CB -0.212 38.171 38.460 -0.129 0.000 0.980 648 Y HN 0.437 nan 8.280 nan 0.000 0.499 649 E N -0.251 119.956 120.200 0.011 0.000 2.106 649 E HA -0.225 4.127 4.350 0.003 0.000 0.192 649 E C 1.687 178.210 176.600 -0.129 0.000 0.984 649 E CA 1.310 57.669 56.400 -0.068 0.000 0.806 649 E CB -0.125 29.580 29.700 0.008 0.000 0.750 649 E HN 0.518 nan 8.360 nan 0.000 0.458 650 N N 0.142 118.789 118.700 -0.088 0.000 2.223 650 N HA -0.082 4.660 4.740 0.003 0.000 0.185 650 N C 0.640 176.097 175.510 -0.088 0.000 1.016 650 N CA 0.591 53.613 53.050 -0.047 0.000 0.863 650 N CB -0.081 38.427 38.487 0.034 0.000 0.983 650 N HN -0.016 nan 8.380 nan 0.000 0.429 654 K N 1.454 121.800 120.400 -0.090 0.000 2.097 654 K HA 0.148 4.470 4.320 0.003 0.000 0.205 654 K C 1.942 178.513 176.600 -0.048 0.000 1.050 654 K CA 1.847 58.097 56.287 -0.062 0.000 0.938 654 K CB -0.205 32.260 32.500 -0.058 0.000 0.718 654 K HN 0.737 nan 8.250 nan 0.000 0.442 655 I N -2.577 117.957 120.570 -0.061 0.000 3.941 655 I HA 0.164 4.336 4.170 0.003 0.000 0.321 655 I C -0.164 176.015 176.117 0.104 0.000 1.284 655 I CA -0.415 60.873 61.300 -0.019 0.000 1.226 655 I CB 0.634 38.551 38.000 -0.139 0.000 1.045 655 I HN -0.176 nan 8.210 nan 0.000 0.420 656 S N 2.162 117.900 115.700 0.063 0.000 2.584 656 S HA 0.362 4.833 4.470 0.003 0.000 0.273 656 S C 0.429 175.045 174.600 0.027 0.000 1.311 656 S CA -0.471 57.781 58.200 0.087 0.000 1.034 656 S CB 1.222 64.434 63.200 0.020 0.000 0.939 656 S HN 0.581 nan 8.310 nan 0.000 0.513 657 S N 1.545 117.249 115.700 0.006 0.000 2.617 657 S HA 0.531 5.002 4.470 0.003 0.000 0.283 657 S C -0.202 174.376 174.600 -0.037 0.000 1.189 657 S CA -0.989 57.199 58.200 -0.019 0.000 1.036 657 S CB 0.832 64.015 63.200 -0.027 0.000 1.014 657 S HN 0.480 nan 8.310 nan 0.000 0.522 658 R N 1.383 121.861 120.500 -0.037 0.000 3.534 658 R HA 0.230 4.571 4.340 0.003 0.000 0.312 658 R C 0.740 177.015 176.300 -0.041 0.000 1.419 658 R CA -0.203 55.870 56.100 -0.044 0.000 1.262 658 R CB -0.508 29.767 30.300 -0.042 0.000 1.437 658 R HN 0.826 nan 8.270 nan 0.000 0.627 659 D N -1.431 118.943 120.400 -0.043 0.000 2.183 659 D HA -0.025 4.617 4.640 0.003 0.000 0.203 659 D C 1.106 177.381 176.300 -0.041 0.000 0.969 659 D CA 1.246 55.223 54.000 -0.038 0.000 0.842 659 D CB 0.167 40.943 40.800 -0.039 0.000 0.957 659 D HN 0.297 nan 8.370 nan 0.000 0.484 660 G N 0.518 109.286 108.800 -0.054 0.000 2.211 660 G HA2 -0.241 3.721 3.960 0.003 0.000 0.201 660 G HA3 -0.241 3.721 3.960 0.003 0.000 0.201 660 G C -0.012 174.846 174.900 -0.070 0.000 0.997 660 G CA 0.051 45.116 45.100 -0.057 0.000 0.652 660 G HN 0.442 nan 8.290 nan 0.000 0.500 661 E N 1.036 121.192 120.200 -0.072 0.000 2.529 661 E HA 0.210 4.562 4.350 0.003 0.000 0.259 661 E C -0.263 176.253 176.600 -0.142 0.000 0.966 661 E CA 0.499 56.853 56.400 -0.077 0.000 0.937 661 E CB 0.382 30.044 29.700 -0.065 0.000 0.923 661 E HN 0.299 nan 8.360 nan 0.000 0.468 662 D N 2.241 122.563 120.400 -0.130 0.000 2.627 662 D HA 0.270 4.912 4.640 0.003 0.000 0.259 662 D C -0.896 175.292 176.300 -0.187 0.000 1.164 662 D CA -0.649 53.201 54.000 -0.250 0.000 1.087 662 D CB 0.530 41.275 40.800 -0.093 0.000 1.217 662 D HN 0.196 nan 8.370 nan 0.000 0.630 663 F N 1.096 121.148 119.950 0.170 0.000 2.424 663 F HA 0.213 4.741 4.527 0.002 0.000 0.356 663 F C 0.746 176.718 175.800 0.287 0.000 1.110 663 F CA -0.749 57.383 58.000 0.220 0.000 1.161 663 F CB 0.237 39.371 39.000 0.223 0.000 1.115 663 F HN 0.024 nan 8.300 nan 0.000 0.507 664 K N 3.415 124.046 120.400 0.385 0.000 2.453 664 K HA 0.095 4.417 4.320 0.003 0.000 0.280 664 K C -0.058 176.672 176.600 0.218 0.000 1.045 664 K CA -0.315 56.117 56.287 0.241 0.000 1.059 664 K CB 0.856 33.451 32.500 0.159 0.000 0.901 664 K HN 0.678 nan 8.250 nan 0.000 0.475 665 R N 4.206 124.730 120.500 0.041 0.000 2.297 665 R HA 0.265 4.607 4.340 0.003 0.000 0.308 665 R C -2.080 174.063 176.300 -0.261 0.000 1.029 665 R CA -1.598 54.268 56.100 -0.390 0.000 0.929 665 R CB 0.785 30.869 30.300 -0.359 0.000 1.046 665 R HN 0.646 nan 8.270 nan 0.000 0.461 666 P HA 0.126 nan 4.420 nan 0.000 0.281 666 P C -0.096 177.141 177.300 -0.105 0.000 1.281 666 P CA -0.565 62.465 63.100 -0.117 0.000 0.811 666 P CB 1.404 33.085 31.700 -0.032 0.000 1.154 667 S N -1.283 114.394 115.700 -0.040 0.000 2.470 667 S HA -0.095 4.377 4.470 0.003 0.000 0.225 667 S C 1.664 176.253 174.600 -0.018 0.000 1.006 667 S CA 0.923 59.106 58.200 -0.028 0.000 0.934 667 S CB -1.265 61.928 63.200 -0.010 0.000 0.778 667 S HN 0.553 nan 8.310 nan 0.000 0.517 668 S N 1.585 117.290 115.700 0.007 0.000 2.515 668 S HA 0.107 4.578 4.470 0.003 0.000 0.231 668 S C 0.843 175.432 174.600 -0.018 0.000 0.987 668 S CA 0.156 58.362 58.200 0.011 0.000 0.936 668 S CB -1.077 62.181 63.200 0.096 0.000 0.766 668 S HN 0.751 nan 8.310 nan 0.000 0.528 669 V N -1.707 118.212 119.914 0.009 0.000 2.997 669 V HA 0.827 4.949 4.120 0.003 0.000 0.311 669 V C -0.118 175.984 176.094 0.014 0.000 1.066 669 V CA -0.650 61.672 62.300 0.038 0.000 1.039 669 V CB 1.456 33.333 31.823 0.090 0.000 1.081 669 V HN 0.196 nan 8.190 nan 0.000 0.467 670 S N 0.831 116.558 115.700 0.045 0.000 2.546 670 S HA 0.835 5.307 4.470 0.003 0.000 0.272 670 S C -0.088 174.548 174.600 0.060 0.000 1.140 670 S CA 0.564 58.785 58.200 0.035 0.000 0.920 670 S CB 0.979 64.186 63.200 0.012 0.000 1.083 670 S HN 2.556 nan 8.310 nan 0.000 0.476 671 G N 2.129 110.962 108.800 0.055 0.000 2.472 671 G HA2 0.198 4.160 3.960 0.003 0.000 0.205 671 G HA3 0.198 4.160 3.960 0.003 0.000 0.205 671 G C -0.519 174.427 174.900 0.075 0.000 1.270 671 G CA -0.062 45.071 45.100 0.055 0.000 0.974 671 G HN 1.517 nan 8.290 nan 0.000 0.542 672 S N -1.310 114.425 115.700 0.057 0.000 2.535 672 S HA 0.535 5.007 4.470 0.003 0.000 0.272 672 S C -0.086 174.515 174.600 0.002 0.000 1.149 672 S CA -0.635 57.599 58.200 0.056 0.000 0.888 672 S CB 0.896 64.124 63.200 0.046 0.000 1.110 672 S HN 1.091 nan 8.310 nan 0.000 0.463 673 I N 5.181 125.740 120.570 -0.017 0.000 2.906 673 I HA 0.079 4.251 4.170 0.003 0.000 0.302 673 I C -0.864 175.146 176.117 -0.179 0.000 1.220 673 I CA -0.764 60.454 61.300 -0.138 0.000 1.441 673 I CB 0.312 38.237 38.000 -0.125 0.000 1.336 673 I HN 0.628 nan 8.210 nan 0.000 0.565 674 P HA 0.035 nan 4.420 nan 0.000 0.249 674 P C -0.032 177.137 177.300 -0.218 0.000 1.229 674 P CA 0.224 63.031 63.100 -0.489 0.000 0.788 674 P CB 0.365 31.758 31.700 -0.513 0.000 1.072 675 S N 1.082 116.720 115.700 -0.103 0.000 2.457 675 S HA 0.419 4.891 4.470 0.003 0.000 0.216 675 S C 0.257 174.868 174.600 0.019 0.000 1.392 675 S CA -0.488 57.696 58.200 -0.027 0.000 1.102 675 S CB -0.036 63.153 63.200 -0.019 0.000 1.114 675 S HN 0.046 nan 8.310 nan 0.000 0.484 676 I N 3.309 123.911 120.570 0.052 0.000 2.441 676 I HA 0.520 4.692 4.170 0.003 0.000 0.295 676 I C -0.391 175.794 176.117 0.112 0.000 0.994 676 I CA -0.865 60.497 61.300 0.103 0.000 1.144 676 I CB 1.842 39.940 38.000 0.164 0.000 1.314 676 I HN 0.469 nan 8.210 nan 0.000 0.445 677 N N 3.277 122.035 118.700 0.096 0.000 2.525 677 N HA 0.480 5.222 4.740 0.003 0.000 0.270 677 N C -1.210 174.322 175.510 0.037 0.000 1.321 677 N CA -0.907 52.194 53.050 0.085 0.000 0.797 677 N CB 1.386 39.913 38.487 0.066 0.000 1.529 677 N HN 0.173 nan 8.380 nan 0.000 0.491 678 V N 0.599 120.502 119.914 -0.017 0.000 2.479 678 V HA 0.137 4.259 4.120 0.003 0.000 0.281 678 V C 0.614 176.631 176.094 -0.127 0.000 1.031 678 V CA -0.350 61.843 62.300 -0.179 0.000 1.038 678 V CB 0.475 32.091 31.823 -0.344 0.000 0.981 678 V HN 0.772 nan 8.190 nan 0.000 0.478 679 S N 4.183 119.811 115.700 -0.121 0.000 2.515 679 S HA 0.423 4.895 4.470 0.003 0.000 0.285 679 S C 1.260 175.813 174.600 -0.078 0.000 1.265 679 S CA 0.730 58.888 58.200 -0.070 0.000 1.079 679 S CB -0.039 63.131 63.200 -0.049 0.000 0.877 679 S HN 1.572 nan 8.310 nan 0.000 0.493 680 G N 3.417 112.188 108.800 -0.047 0.000 2.213 680 G HA2 -0.186 3.776 3.960 0.003 0.000 0.226 680 G HA3 -0.186 3.776 3.960 0.003 0.000 0.226 680 G C 0.013 174.894 174.900 -0.032 0.000 0.992 680 G CA 0.105 45.182 45.100 -0.037 0.000 0.632 680 G HN 0.993 nan 8.290 nan 0.000 0.511 681 S N 1.413 117.089 115.700 -0.040 0.000 2.381 681 S HA 0.459 4.931 4.470 0.003 0.000 0.193 681 S C -0.194 174.406 174.600 0.001 0.000 1.287 681 S CA -0.684 57.504 58.200 -0.019 0.000 1.199 681 S CB 1.346 64.527 63.200 -0.031 0.000 1.214 681 S HN 0.483 nan 8.310 nan 0.000 0.444 682 Q N 1.233 121.040 119.800 0.012 0.000 2.318 682 Q HA 0.360 4.702 4.340 0.003 0.000 0.222 682 Q C -0.767 175.259 176.000 0.044 0.000 1.003 682 Q CA -0.499 55.319 55.803 0.025 0.000 0.936 682 Q CB 0.803 29.550 28.738 0.014 0.000 1.204 682 Q HN 0.436 nan 8.270 nan 0.000 0.524 683 D N -0.174 120.255 120.400 0.049 0.000 2.375 683 D HA 0.170 4.811 4.640 0.003 0.000 0.247 683 D C -0.014 176.289 176.300 0.006 0.000 1.061 683 D CA -0.460 53.573 54.000 0.055 0.000 0.834 683 D CB 0.974 41.830 40.800 0.093 0.000 1.247 683 D HN 0.266 nan 8.370 nan 0.000 0.489 684 N N 1.864 120.558 118.700 -0.010 0.000 2.409 684 N HA -0.068 4.674 4.740 0.003 0.000 0.179 684 N C 0.725 176.176 175.510 -0.098 0.000 1.032 684 N CA 0.372 53.397 53.050 -0.042 0.000 0.898 684 N CB 0.016 38.484 38.487 -0.032 0.000 0.971 684 N HN 0.386 nan 8.380 nan 0.000 0.441 685 N N 0.994 119.591 118.700 -0.171 0.000 2.327 685 N HA 0.002 4.743 4.740 0.003 0.000 0.231 685 N C -0.576 174.744 175.510 -0.315 0.000 1.130 685 N CA 0.029 52.884 53.050 -0.325 0.000 0.845 685 N CB 0.196 38.292 38.487 -0.652 0.000 1.073 685 N HN 0.259 nan 8.380 nan 0.000 0.496 686 T N -1.014 113.439 114.554 -0.168 0.000 2.860 686 T HA 0.338 4.690 4.350 0.003 0.000 0.299 686 T C 0.455 175.098 174.700 -0.096 0.000 1.045 686 T CA -0.362 61.672 62.100 -0.111 0.000 1.071 686 T CB 1.464 70.302 68.868 -0.049 0.000 0.985 686 T HN 0.168 nan 8.240 nan 0.000 0.537 687 T N -0.677 113.837 114.554 -0.067 0.000 2.912 687 T HA 0.462 4.814 4.350 0.003 0.000 0.299 687 T C -0.335 174.350 174.700 -0.024 0.000 1.052 687 T CA -1.101 60.970 62.100 -0.049 0.000 0.996 687 T CB 1.331 70.168 68.868 -0.051 0.000 1.070 687 T HN 0.428 nan 8.240 nan 0.000 0.465 688 N N 0.949 119.637 118.700 -0.021 0.000 2.455 688 N HA 0.211 4.953 4.740 0.003 0.000 0.258 688 N C -0.197 175.311 175.510 -0.003 0.000 1.158 688 N CA -0.311 52.732 53.050 -0.012 0.000 0.893 688 N CB 0.062 38.541 38.487 -0.012 0.000 1.173 688 N HN 0.502 nan 8.380 nan 0.000 0.503 689 R N 0.201 120.701 120.500 0.001 0.000 2.215 689 R HA 0.330 4.672 4.340 0.003 0.000 0.336 689 R C 0.315 176.627 176.300 0.020 0.000 0.996 689 R CA -0.220 55.881 56.100 0.002 0.000 0.847 689 R CB 0.503 30.798 30.300 -0.009 0.000 1.127 689 R HN 0.034 nan 8.270 nan 0.000 0.465 690 S N 1.843 117.555 115.700 0.019 0.000 2.625 690 S HA 0.102 4.574 4.470 0.003 0.000 0.258 690 S C 0.917 175.517 174.600 0.001 0.000 1.256 690 S CA -0.189 58.033 58.200 0.037 0.000 0.983 690 S CB 0.988 64.216 63.200 0.047 0.000 1.032 690 S HN 0.688 nan 8.310 nan 0.000 0.572 691 T N 0.819 115.364 114.554 -0.014 0.000 2.739 691 T HA 0.165 4.517 4.350 0.003 0.000 0.249 691 T C 0.466 175.007 174.700 -0.265 0.000 1.050 691 T CA 0.815 62.838 62.100 -0.128 0.000 1.165 691 T CB -0.421 68.322 68.868 -0.208 0.000 0.872 691 T HN 0.598 nan 8.240 nan 0.000 0.411 692 H N 0.000 118.839 119.070 -0.385 0.000 2.539 692 H HA 0.000 4.558 4.556 0.003 0.000 0.296 692 H CA 0.000 55.873 56.048 -0.291 0.000 1.023 692 H CB 0.000 29.422 29.762 -0.566 0.000 1.292 692 H HN 0.000 nan 8.280 nan 0.000 0.496