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 1xfy_1_A DATA FIRST_RESID 64 DATA SEQUENCE NNLVKTEFTN ETLDKIQQTQ DLLKKIPKDV LEIYSELGGE IYFTDIDLVE DATA SEQUENCE HKELQDLSEE EKNSMNSRGE KVPFASRFVF EKKRETPKLI INIKDYAINS DATA SEQUENCE EQSKEVYYEI GKGISLDIIS KDKSLDPEFL NLIKSLSDDS DSSDLLFSQK DATA SEQUENCE FKEKLELNNK SIDINFIKEN LTEFQHAFSL AFSYYFAPDH RTVLELYAPD DATA SEQUENCE MFEYMNKLEK GGFEKISESL KKEGVEKDRI DVLKGEKALK ASGLVPEHAD DATA SEQUENCE AFKKIARELN TYILFRPVNK LATNLIKSGV ATKGLNVHGK SSDWGPVAGY DATA SEQUENCE IPFDQDLSKK HGQQLAVEKG NLENKKSITE HEGEIGKIPL KLDHLRIEEL DATA SEQUENCE KENGIILKGK KEIDNGKKYY LLESNNQVYE FRISDENNEV QYKTKEGKIT DATA SEQUENCE VLGEKFNWRN IEVMAKNVEG VLKPLTADYD LFALAPSLTE IKKQIPQKEW DATA SEQUENCE DKVVNTPNSL EKQKGVTNLL IKYGIERKPD STKGTLSNWQ KQMLDRLNEA DATA SEQUENCE VKYTGYTGGD VVNHGTEQDN EEFPEKDNEI FIINPEGEFI LTKNWEMTGR DATA SEQUENCE FIEKNITGKD YLYYFNRSYN KIAPGNKAYI EWTDPITKAK INTIPTSAEF DATA SEQUENCE IKNLSSIRRS SNVGVYKDSG DKDEFAKKES VKKIAGYLSD YYNSANHIFS DATA SEQUENCE QEKKRKISIF RGIQAYNEIE NVLKSKQIAP EYKNYFQYLK ERITNQVQLL DATA SEQUENCE LTHQKSNIEF KLLYKQLNFT ENETDNFEVF QKIID 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 64 N HA 0.000 nan 4.740 nan 0.000 0.220 64 N C 0.000 175.492 175.510 -0.030 0.000 1.280 64 N CA 0.000 53.031 53.050 -0.031 0.000 0.885 64 N CB 0.000 38.462 38.487 -0.042 0.000 1.341 65 N N 1.607 120.291 118.700 -0.027 0.000 2.416 65 N HA 0.087 4.826 4.740 -0.001 0.000 0.265 65 N C 0.904 176.388 175.510 -0.043 0.000 1.195 65 N CA -0.433 52.602 53.050 -0.025 0.000 0.943 65 N CB 0.751 39.229 38.487 -0.015 0.000 1.115 65 N HN 0.496 nan 8.380 nan 0.000 0.481 66 L N 3.998 125.202 121.223 -0.031 0.000 2.017 66 L HA 0.048 4.387 4.340 -0.001 0.000 0.208 66 L C 0.486 177.316 176.870 -0.066 0.000 1.073 66 L CA 1.483 56.303 54.840 -0.035 0.000 0.745 66 L CB -0.055 42.012 42.059 0.013 0.000 0.894 66 L HN 0.384 nan 8.230 nan 0.000 0.432 67 V N 0.597 120.495 119.914 -0.027 0.000 2.439 67 V HA 0.383 4.502 4.120 -0.001 0.000 0.282 67 V C -0.461 175.625 176.094 -0.014 0.000 1.039 67 V CA -0.613 61.684 62.300 -0.006 0.000 0.913 67 V CB 1.160 33.055 31.823 0.120 0.000 0.983 67 V HN 0.330 nan 8.190 nan 0.000 0.460 68 K N 4.057 124.424 120.400 -0.056 0.000 2.483 68 K HA 0.459 4.778 4.320 -0.001 0.000 0.256 68 K C -0.448 176.257 176.600 0.175 0.000 0.961 68 K CA -0.256 56.043 56.287 0.019 0.000 0.873 68 K CB 1.544 34.008 32.500 -0.061 0.000 1.107 68 K HN 0.873 nan 8.250 nan 0.000 0.432 69 T N 0.132 114.805 114.554 0.198 0.000 2.727 69 T HA 0.197 4.546 4.350 -0.001 0.000 0.298 69 T C 0.898 175.730 174.700 0.221 0.000 0.942 69 T CA -0.653 61.595 62.100 0.247 0.000 0.997 69 T CB 1.301 70.268 68.868 0.165 0.000 0.917 69 T HN 0.398 nan 8.240 nan 0.000 0.487 70 E N 2.657 123.012 120.200 0.259 0.000 2.006 70 E HA 0.161 4.511 4.350 -0.001 0.000 0.192 70 E C -0.331 176.398 176.600 0.215 0.000 0.993 70 E CA 0.862 57.383 56.400 0.202 0.000 0.808 70 E CB 0.098 29.904 29.700 0.177 0.000 0.764 70 E HN 0.795 nan 8.360 nan 0.000 0.449 71 F N 0.662 120.668 119.950 0.094 0.000 2.388 71 F HA 0.162 4.688 4.527 -0.001 0.000 0.358 71 F C 0.325 176.152 175.800 0.046 0.000 1.122 71 F CA -0.555 57.482 58.000 0.063 0.000 1.056 71 F CB 1.189 40.224 39.000 0.057 0.000 1.155 71 F HN -0.030 nan 8.300 nan 0.000 0.461 72 T N 0.379 115.148 114.554 0.358 0.000 3.330 72 T HA 0.033 4.382 4.350 -0.001 0.000 0.249 72 T C 1.020 175.718 174.700 -0.004 0.000 0.980 72 T CA -0.247 61.928 62.100 0.124 0.000 0.920 72 T CB -0.490 68.442 68.868 0.106 0.000 1.065 72 T HN 0.589 nan 8.240 nan 0.000 0.588 73 N N 1.572 120.126 118.700 -0.242 0.000 2.043 73 N HA -0.101 4.638 4.740 -0.001 0.000 0.193 73 N C 0.607 175.907 175.510 -0.348 0.000 1.037 73 N CA 1.356 54.023 53.050 -0.638 0.000 0.851 73 N CB -0.003 37.503 38.487 -1.635 0.000 1.027 73 N HN 0.489 nan 8.380 nan 0.000 0.422 74 E N -0.651 119.380 120.200 -0.281 0.000 2.421 74 E HA 0.114 4.463 4.350 -0.001 0.000 0.253 74 E C 0.817 177.337 176.600 -0.133 0.000 1.277 74 E CA -0.038 56.245 56.400 -0.195 0.000 0.968 74 E CB 0.150 29.728 29.700 -0.204 0.000 1.040 74 E HN 0.401 nan 8.360 nan 0.000 0.512 75 T N -1.719 112.772 114.554 -0.105 0.000 3.018 75 T HA 0.083 4.433 4.350 -0.001 0.000 0.338 75 T C 1.497 176.153 174.700 -0.073 0.000 1.208 75 T CA -0.664 61.396 62.100 -0.067 0.000 0.963 75 T CB 0.008 68.855 68.868 -0.035 0.000 1.697 75 T HN 0.141 nan 8.240 nan 0.000 0.560 76 L N 1.017 122.210 121.223 -0.050 0.000 1.978 76 L HA -0.156 4.183 4.340 -0.001 0.000 0.218 76 L C 2.528 179.350 176.870 -0.080 0.000 1.075 76 L CA 2.013 56.822 54.840 -0.053 0.000 0.767 76 L CB -2.123 39.917 42.059 -0.031 0.000 0.890 76 L HN 0.652 nan 8.230 nan 0.000 0.434 77 D N 0.123 120.475 120.400 -0.079 0.000 2.565 77 D HA -0.300 4.339 4.640 -0.001 0.000 0.189 77 D C 2.067 178.259 176.300 -0.180 0.000 1.052 77 D CA 2.372 56.292 54.000 -0.134 0.000 0.889 77 D CB -0.055 40.594 40.800 -0.251 0.000 0.911 77 D HN 0.410 nan 8.370 nan 0.000 0.464 78 K N 0.923 121.215 120.400 -0.182 0.000 1.967 78 K HA -0.066 4.253 4.320 -0.001 0.000 0.212 78 K C 2.278 178.786 176.600 -0.154 0.000 1.044 78 K CA 1.065 57.255 56.287 -0.161 0.000 0.942 78 K CB -0.860 31.560 32.500 -0.133 0.000 0.726 78 K HN 0.178 nan 8.250 nan 0.000 0.440 79 I N 0.717 121.210 120.570 -0.129 0.000 2.068 79 I HA -0.312 3.857 4.170 -0.001 0.000 0.238 79 I C 2.249 178.279 176.117 -0.144 0.000 1.046 79 I CA 1.781 63.001 61.300 -0.133 0.000 1.306 79 I CB -0.602 37.348 38.000 -0.084 0.000 1.023 79 I HN 0.382 nan 8.210 nan 0.000 0.399 80 Q N 0.414 120.151 119.800 -0.105 0.000 2.576 80 Q HA -0.178 4.161 4.340 -0.001 0.000 0.219 80 Q C 1.454 177.395 176.000 -0.098 0.000 0.976 80 Q CA 0.954 56.705 55.803 -0.087 0.000 0.977 80 Q CB -0.156 28.551 28.738 -0.052 0.000 0.988 80 Q HN 0.545 nan 8.270 nan 0.000 0.555 81 Q N -2.618 117.097 119.800 -0.142 0.000 2.577 81 Q HA -0.024 4.316 4.340 -0.001 0.000 0.242 81 Q C 1.612 177.473 176.000 -0.232 0.000 0.818 81 Q CA 0.811 56.528 55.803 -0.142 0.000 0.962 81 Q CB 0.274 28.940 28.738 -0.120 0.000 1.272 81 Q HN 0.497 nan 8.270 nan 0.000 0.593 82 T N -0.427 113.908 114.554 -0.365 0.000 2.684 82 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 82 T C 1.739 176.159 174.700 -0.466 0.000 1.036 82 T CA 1.543 63.218 62.100 -0.709 0.000 1.148 82 T CB -0.382 67.838 68.868 -1.080 0.000 0.863 82 T HN 0.298 nan 8.240 nan 0.000 0.436 83 Q N 1.053 120.679 119.800 -0.290 0.000 2.002 83 Q HA -0.174 4.165 4.340 -0.001 0.000 0.204 83 Q C 2.338 178.247 176.000 -0.151 0.000 0.988 83 Q CA 1.813 57.510 55.803 -0.177 0.000 0.843 83 Q CB -0.461 28.205 28.738 -0.119 0.000 0.908 83 Q HN 0.519 nan 8.270 nan 0.000 0.420 84 D N 0.793 121.111 120.400 -0.138 0.000 2.126 84 D HA -0.187 4.453 4.640 -0.001 0.000 0.190 84 D C 1.913 178.136 176.300 -0.128 0.000 1.001 84 D CA 0.960 54.895 54.000 -0.108 0.000 0.841 84 D CB -0.330 40.417 40.800 -0.089 0.000 0.949 84 D HN 0.049 nan 8.370 nan 0.000 0.446 85 L N 0.460 121.576 121.223 -0.178 0.000 2.013 85 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 85 L C 2.432 179.172 176.870 -0.217 0.000 1.073 85 L CA 1.428 56.135 54.840 -0.222 0.000 0.753 85 L CB -0.614 41.266 42.059 -0.298 0.000 0.890 85 L HN 0.103 nan 8.230 nan 0.000 0.432 86 L N -0.660 120.463 121.223 -0.168 0.000 1.988 86 L HA -0.228 4.111 4.340 -0.001 0.000 0.207 86 L C 2.522 179.336 176.870 -0.094 0.000 1.071 86 L CA 1.706 56.481 54.840 -0.109 0.000 0.744 86 L CB -0.882 41.154 42.059 -0.038 0.000 0.893 86 L HN 0.327 nan 8.230 nan 0.000 0.433 87 K N 0.645 121.000 120.400 -0.076 0.000 2.293 87 K HA -0.271 4.049 4.320 -0.001 0.000 0.204 87 K C 2.060 178.631 176.600 -0.048 0.000 1.045 87 K CA 1.554 57.810 56.287 -0.051 0.000 0.933 87 K CB -0.314 32.161 32.500 -0.042 0.000 0.736 87 K HN 0.245 nan 8.250 nan 0.000 0.463 88 K N 2.185 122.544 120.400 -0.069 0.000 1.984 88 K HA -0.081 4.239 4.320 -0.001 0.000 0.209 88 K C 0.781 177.324 176.600 -0.095 0.000 1.046 88 K CA 0.739 56.995 56.287 -0.051 0.000 0.934 88 K CB -0.364 32.096 32.500 -0.066 0.000 0.717 88 K HN 0.273 nan 8.250 nan 0.000 0.438 89 I N 4.701 125.167 120.570 -0.173 0.000 2.775 89 I HA -0.017 4.152 4.170 -0.001 0.000 0.290 89 I C -1.914 174.047 176.117 -0.260 0.000 1.203 89 I CA -1.518 59.601 61.300 -0.301 0.000 1.433 89 I CB 0.143 38.032 38.000 -0.186 0.000 1.354 89 I HN 0.188 nan 8.210 nan 0.000 0.579 90 P HA -0.034 nan 4.420 nan 0.000 0.260 90 P C 0.206 177.481 177.300 -0.043 0.000 1.207 90 P CA -0.144 62.893 63.100 -0.105 0.000 0.780 90 P CB 0.855 32.575 31.700 0.032 0.000 0.789 91 K N 3.807 124.210 120.400 0.004 0.000 2.148 91 K HA -0.238 4.082 4.320 -0.001 0.000 0.213 91 K C 1.239 177.843 176.600 0.008 0.000 1.050 91 K CA 2.084 58.376 56.287 0.007 0.000 0.932 91 K CB -0.485 32.032 32.500 0.029 0.000 0.717 91 K HN 0.423 nan 8.250 nan 0.000 0.462 92 D N -0.860 119.565 120.400 0.041 0.000 2.137 92 D HA -0.113 4.527 4.640 -0.001 0.000 0.202 92 D C 1.892 178.151 176.300 -0.069 0.000 0.970 92 D CA 1.051 55.074 54.000 0.039 0.000 0.837 92 D CB -0.397 40.494 40.800 0.152 0.000 0.981 92 D HN 0.092 nan 8.370 nan 0.000 0.475 93 V N 1.601 121.393 119.914 -0.203 0.000 2.370 93 V HA -0.270 3.850 4.120 -0.001 0.000 0.252 93 V C 2.361 178.350 176.094 -0.175 0.000 1.068 93 V CA 1.504 63.572 62.300 -0.386 0.000 1.061 93 V CB -0.377 31.217 31.823 -0.382 0.000 0.656 93 V HN 0.159 nan 8.190 nan 0.000 0.455 94 L N -0.720 120.443 121.223 -0.100 0.000 2.005 94 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 94 L C 2.655 179.538 176.870 0.022 0.000 1.072 94 L CA 1.787 56.613 54.840 -0.022 0.000 0.744 94 L CB -0.994 41.051 42.059 -0.023 0.000 0.895 94 L HN 0.255 nan 8.230 nan 0.000 0.433 95 E N 0.342 120.542 120.200 -0.000 0.000 2.333 95 E HA -0.186 4.164 4.350 -0.001 0.000 0.200 95 E C 2.124 178.725 176.600 0.001 0.000 1.010 95 E CA 1.096 57.499 56.400 0.005 0.000 0.841 95 E CB -0.022 29.684 29.700 0.010 0.000 0.757 95 E HN 0.587 nan 8.360 nan 0.000 0.508 96 I N -0.793 119.775 120.570 -0.004 0.000 2.494 96 I HA -0.209 3.961 4.170 -0.001 0.000 0.250 96 I C 2.217 178.339 176.117 0.008 0.000 1.112 96 I CA 0.452 61.746 61.300 -0.011 0.000 1.438 96 I CB -0.249 37.723 38.000 -0.047 0.000 1.111 96 I HN 0.018 nan 8.210 nan 0.000 0.431 97 Y N 2.017 122.248 120.300 -0.117 0.000 2.114 97 Y HA -0.311 4.239 4.550 -0.001 0.000 0.284 97 Y C 3.071 178.915 175.900 -0.093 0.000 1.143 97 Y CA 1.829 59.861 58.100 -0.113 0.000 1.135 97 Y CB -0.465 37.922 38.460 -0.123 0.000 0.980 97 Y HN 0.227 nan 8.280 nan 0.000 0.499 98 S N -0.762 114.946 115.700 0.013 0.000 2.419 98 S HA -0.209 4.261 4.470 -0.001 0.000 0.233 98 S C 1.918 176.463 174.600 -0.091 0.000 1.016 98 S CA 1.449 59.616 58.200 -0.055 0.000 0.974 98 S CB -0.430 62.761 63.200 -0.015 0.000 0.786 98 S HN 0.496 nan 8.310 nan 0.000 0.492 99 E N 1.481 121.637 120.200 -0.073 0.000 2.072 99 E HA 0.098 4.447 4.350 -0.001 0.000 0.190 99 E C 1.374 177.910 176.600 -0.107 0.000 0.982 99 E CA 0.834 57.191 56.400 -0.072 0.000 0.803 99 E CB -0.499 29.173 29.700 -0.046 0.000 0.755 99 E HN 0.648 nan 8.360 nan 0.000 0.453 100 L N -0.165 120.967 121.223 -0.152 0.000 2.762 100 L HA 0.194 4.533 4.340 -0.001 0.000 0.250 100 L C 1.239 177.974 176.870 -0.225 0.000 1.160 100 L CA 0.452 55.181 54.840 -0.185 0.000 0.951 100 L CB -0.498 41.424 42.059 -0.229 0.000 1.148 100 L HN 0.321 nan 8.230 nan 0.000 0.424 101 G N -0.325 108.361 108.800 -0.190 0.000 2.203 101 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.263 101 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.263 101 G C 0.629 175.381 174.900 -0.246 0.000 1.012 101 G CA 0.072 45.066 45.100 -0.176 0.000 0.749 101 G HN 0.583 nan 8.290 nan 0.000 0.512 102 G N -1.104 107.453 108.800 -0.405 0.000 2.580 102 G HA2 0.616 4.575 3.960 -0.001 0.000 0.278 102 G HA3 0.616 4.575 3.960 -0.001 0.000 0.278 102 G C -0.267 174.469 174.900 -0.274 0.000 1.212 102 G CA -0.147 44.614 45.100 -0.565 0.000 0.939 102 G HN 0.519 nan 8.290 nan 0.000 0.513 103 E N -0.979 119.120 120.200 -0.169 0.000 2.335 103 E HA 0.311 4.660 4.350 -0.001 0.000 0.280 103 E C -1.086 175.401 176.600 -0.189 0.000 0.918 103 E CA -0.526 55.764 56.400 -0.183 0.000 0.765 103 E CB 2.567 32.091 29.700 -0.293 0.000 1.218 103 E HN 0.315 nan 8.360 nan 0.000 0.425 104 I N 2.612 123.039 120.570 -0.238 0.000 2.359 104 I HA 0.310 4.479 4.170 -0.001 0.000 0.294 104 I C -0.952 174.893 176.117 -0.453 0.000 0.987 104 I CA -0.705 60.436 61.300 -0.264 0.000 1.225 104 I CB 0.740 38.627 38.000 -0.188 0.000 1.366 104 I HN 0.452 nan 8.210 nan 0.000 0.466 105 Y N 5.716 125.888 120.300 -0.214 0.000 2.342 105 Y HA 0.400 4.950 4.550 -0.001 0.000 0.338 105 Y C -0.553 175.200 175.900 -0.245 0.000 0.965 105 Y CA -0.527 57.483 58.100 -0.151 0.000 1.159 105 Y CB 1.140 39.557 38.460 -0.072 0.000 1.157 105 Y HN 0.345 nan 8.280 nan 0.000 0.486 106 F N 2.520 122.601 119.950 0.217 0.000 2.325 106 F HA 0.337 4.864 4.527 -0.001 0.000 0.369 106 F C 0.626 176.530 175.800 0.175 0.000 1.095 106 F CA -0.983 57.117 58.000 0.167 0.000 1.082 106 F CB 1.025 40.101 39.000 0.126 0.000 1.289 106 F HN 0.408 nan 8.300 nan 0.000 0.462 107 T N -1.535 113.207 114.554 0.313 0.000 2.864 107 T HA 0.365 4.714 4.350 -0.001 0.000 0.276 107 T C 0.539 175.394 174.700 0.257 0.000 1.006 107 T CA -0.422 61.832 62.100 0.256 0.000 0.970 107 T CB 1.789 70.761 68.868 0.172 0.000 1.420 107 T HN 0.315 nan 8.240 nan 0.000 0.601 108 D N -0.373 120.191 120.400 0.272 0.000 2.435 108 D HA 0.241 4.880 4.640 -0.001 0.000 0.257 108 D C 0.886 177.282 176.300 0.161 0.000 1.290 108 D CA 0.411 54.556 54.000 0.242 0.000 0.994 108 D CB 0.002 41.059 40.800 0.428 0.000 1.014 108 D HN 0.598 nan 8.370 nan 0.000 0.378 109 I N 0.799 121.462 120.570 0.156 0.000 3.326 109 I HA 0.170 4.339 4.170 -0.001 0.000 0.336 109 I C -0.454 175.709 176.117 0.076 0.000 1.543 109 I CA -0.092 61.266 61.300 0.096 0.000 1.013 109 I CB 0.711 38.746 38.000 0.058 0.000 1.468 109 I HN -0.166 nan 8.210 nan 0.000 0.515 110 D N 1.271 121.736 120.400 0.107 0.000 2.338 110 D HA 0.051 4.690 4.640 -0.001 0.000 0.239 110 D C 2.012 178.364 176.300 0.087 0.000 1.095 110 D CA 0.164 54.225 54.000 0.101 0.000 0.888 110 D CB 0.168 41.058 40.800 0.149 0.000 0.899 110 D HN 0.262 nan 8.370 nan 0.000 0.525 111 L N -0.346 120.915 121.223 0.064 0.000 2.402 111 L HA -0.383 3.956 4.340 -0.001 0.000 0.240 111 L C 1.365 178.250 176.870 0.024 0.000 1.135 111 L CA 1.549 56.413 54.840 0.040 0.000 0.830 111 L CB -1.574 40.493 42.059 0.014 0.000 0.988 111 L HN 0.090 nan 8.230 nan 0.000 0.428 112 V N -0.779 119.172 119.914 0.062 0.000 3.898 112 V HA -0.125 3.994 4.120 -0.001 0.000 0.270 112 V C 1.477 177.758 176.094 0.313 0.000 0.952 112 V CA 0.321 62.728 62.300 0.179 0.000 0.958 112 V CB -0.058 31.876 31.823 0.185 0.000 1.230 112 V HN 0.377 nan 8.190 nan 0.000 0.425 113 E N -0.895 119.550 120.200 0.409 0.000 2.526 113 E HA -0.180 4.169 4.350 -0.001 0.000 0.206 113 E C 1.381 178.112 176.600 0.220 0.000 1.139 113 E CA 0.575 57.157 56.400 0.303 0.000 0.913 113 E CB -0.418 29.377 29.700 0.157 0.000 0.868 113 E HN 0.638 nan 8.360 nan 0.000 0.564 114 H N 0.604 119.734 119.070 0.099 0.000 2.529 114 H HA 0.069 4.624 4.556 -0.001 0.000 0.277 114 H C 0.665 176.007 175.328 0.024 0.000 0.999 114 H CA 0.569 56.648 56.048 0.052 0.000 1.256 114 H CB 0.308 30.100 29.762 0.050 0.000 1.402 114 H HN -0.157 nan 8.280 nan 0.000 0.566 115 K N 1.718 122.184 120.400 0.110 0.000 2.448 115 K HA -0.080 4.239 4.320 -0.001 0.000 0.278 115 K C 1.009 177.568 176.600 -0.068 0.000 1.009 115 K CA 0.277 56.568 56.287 0.005 0.000 0.995 115 K CB 0.426 32.919 32.500 -0.012 0.000 0.917 115 K HN 0.619 nan 8.250 nan 0.000 0.481 116 E N 3.112 123.237 120.200 -0.125 0.000 2.393 116 E HA -0.189 4.160 4.350 -0.001 0.000 0.201 116 E C 0.575 177.089 176.600 -0.144 0.000 1.025 116 E CA 0.854 57.172 56.400 -0.137 0.000 0.856 116 E CB 0.099 29.709 29.700 -0.151 0.000 0.771 116 E HN 0.259 nan 8.360 nan 0.000 0.526 117 L N 0.699 121.820 121.223 -0.170 0.000 3.229 117 L HA 0.189 4.528 4.340 -0.001 0.000 0.286 117 L C 0.856 177.697 176.870 -0.048 0.000 1.239 117 L CA 0.193 54.953 54.840 -0.134 0.000 1.035 117 L CB 0.969 42.895 42.059 -0.222 0.000 1.408 117 L HN 0.084 nan 8.230 nan 0.000 0.593 118 Q N -0.299 119.502 119.800 0.001 0.000 2.220 118 Q HA 0.136 4.475 4.340 -0.001 0.000 0.205 118 Q C 0.026 176.075 176.000 0.081 0.000 0.865 118 Q CA 0.108 55.976 55.803 0.108 0.000 0.960 118 Q CB 0.915 29.766 28.738 0.188 0.000 1.097 118 Q HN 0.370 nan 8.270 nan 0.000 0.493 119 D N -0.227 120.183 120.400 0.016 0.000 2.360 119 D HA 0.009 4.649 4.640 -0.001 0.000 0.289 119 D C 1.169 177.461 176.300 -0.012 0.000 1.183 119 D CA -0.632 53.364 54.000 -0.008 0.000 1.082 119 D CB 0.371 41.152 40.800 -0.032 0.000 1.146 119 D HN -0.046 nan 8.370 nan 0.000 0.545 120 L N 1.165 122.372 121.223 -0.026 0.000 2.700 120 L HA -0.059 4.281 4.340 -0.001 0.000 0.240 120 L C 1.291 178.151 176.870 -0.017 0.000 1.162 120 L CA 0.859 55.683 54.840 -0.027 0.000 0.874 120 L CB -1.040 41.000 42.059 -0.031 0.000 1.001 120 L HN 0.113 nan 8.230 nan 0.000 0.447 121 S N 0.981 116.674 115.700 -0.011 0.000 2.380 121 S HA -0.126 4.344 4.470 -0.001 0.000 0.217 121 S C 0.738 175.334 174.600 -0.008 0.000 1.036 121 S CA 1.341 59.533 58.200 -0.013 0.000 1.050 121 S CB -0.097 63.092 63.200 -0.019 0.000 1.016 121 S HN 0.609 nan 8.310 nan 0.000 0.419 122 E N 1.723 121.924 120.200 0.002 0.000 2.621 122 E HA 0.283 4.633 4.350 -0.001 0.000 0.263 122 E C -0.569 176.062 176.600 0.050 0.000 1.033 122 E CA -0.524 55.882 56.400 0.011 0.000 0.778 122 E CB 0.744 30.441 29.700 -0.005 0.000 1.426 122 E HN 0.691 nan 8.360 nan 0.000 0.394 123 E N 1.934 122.168 120.200 0.057 0.000 2.950 123 E HA 0.343 4.692 4.350 -0.001 0.000 0.234 123 E C -0.557 176.099 176.600 0.092 0.000 0.936 123 E CA -0.979 55.483 56.400 0.104 0.000 1.114 123 E CB 0.445 30.155 29.700 0.015 0.000 1.555 123 E HN 0.119 nan 8.360 nan 0.000 0.488 124 E N 0.538 120.776 120.200 0.063 0.000 2.463 124 E HA -0.053 4.297 4.350 -0.001 0.000 0.248 124 E C 0.048 176.663 176.600 0.024 0.000 1.106 124 E CA 0.347 56.775 56.400 0.047 0.000 0.946 124 E CB 0.321 30.020 29.700 -0.001 0.000 0.971 124 E HN 0.310 nan 8.360 nan 0.000 0.478 125 K N 2.444 122.867 120.400 0.038 0.000 2.367 125 K HA 0.170 4.490 4.320 -0.001 0.000 0.198 125 K C -0.405 176.211 176.600 0.026 0.000 1.132 125 K CA 0.318 56.620 56.287 0.024 0.000 0.941 125 K CB 0.463 32.978 32.500 0.025 0.000 1.052 125 K HN 0.312 nan 8.250 nan 0.000 0.507 126 N N 0.158 118.882 118.700 0.039 0.000 2.577 126 N HA 0.150 4.890 4.740 -0.001 0.000 0.275 126 N C -1.633 173.908 175.510 0.052 0.000 1.091 126 N CA -0.099 52.974 53.050 0.040 0.000 0.843 126 N CB 1.888 40.399 38.487 0.041 0.000 1.295 126 N HN -0.224 nan 8.380 nan 0.000 0.530 127 S N 2.902 118.626 115.700 0.041 0.000 2.519 127 S HA 0.195 4.664 4.470 -0.001 0.000 0.320 127 S C 0.073 174.698 174.600 0.042 0.000 1.179 127 S CA -0.124 58.101 58.200 0.041 0.000 1.173 127 S CB -0.606 62.608 63.200 0.023 0.000 1.224 127 S HN 0.500 nan 8.310 nan 0.000 0.542 128 M N 2.335 121.974 119.600 0.065 0.000 2.037 128 M HA 0.456 4.935 4.480 -0.001 0.000 0.255 128 M C -0.482 175.870 176.300 0.087 0.000 0.914 128 M CA -0.495 54.841 55.300 0.060 0.000 0.986 128 M CB 0.598 33.269 32.600 0.118 0.000 1.947 128 M HN 0.256 nan 8.290 nan 0.000 0.419 129 N N 0.745 119.470 118.700 0.041 0.000 2.804 129 N HA 0.176 4.916 4.740 -0.001 0.000 0.233 129 N C 0.504 176.040 175.510 0.043 0.000 1.020 129 N CA 0.345 53.430 53.050 0.057 0.000 1.164 129 N CB 0.554 39.044 38.487 0.005 0.000 1.571 129 N HN 0.677 nan 8.380 nan 0.000 0.551 130 S N 1.269 116.945 115.700 -0.040 0.000 2.549 130 S HA 0.132 4.602 4.470 -0.001 0.000 0.260 130 S C 1.221 175.923 174.600 0.170 0.000 1.217 130 S CA -0.492 57.681 58.200 -0.045 0.000 1.001 130 S CB 0.696 63.676 63.200 -0.367 0.000 1.059 130 S HN 0.279 nan 8.310 nan 0.000 0.537 131 R N 0.845 121.615 120.500 0.450 0.000 2.103 131 R HA -0.057 4.282 4.340 -0.001 0.000 0.234 131 R C 1.116 177.494 176.300 0.131 0.000 1.132 131 R CA 1.577 57.877 56.100 0.334 0.000 0.925 131 R CB -1.190 29.337 30.300 0.378 0.000 0.842 131 R HN 0.692 nan 8.270 nan 0.000 0.430 132 G N -0.099 108.788 108.800 0.146 0.000 2.537 132 G HA2 0.155 4.114 3.960 -0.001 0.000 0.297 132 G HA3 0.155 4.114 3.960 -0.001 0.000 0.297 132 G C -1.264 173.643 174.900 0.012 0.000 1.310 132 G CA -0.513 44.622 45.100 0.059 0.000 1.027 132 G HN 0.371 nan 8.290 nan 0.000 0.505 133 E N -0.858 119.338 120.200 -0.008 0.000 2.101 133 E HA 0.379 4.729 4.350 -0.001 0.000 0.260 133 E C 0.436 177.027 176.600 -0.015 0.000 0.897 133 E CA -0.459 55.928 56.400 -0.022 0.000 0.744 133 E CB 1.090 30.774 29.700 -0.026 0.000 1.140 133 E HN 0.401 nan 8.360 nan 0.000 0.419 134 K N 2.581 122.964 120.400 -0.029 0.000 2.274 134 K HA 0.263 4.583 4.320 -0.001 0.000 0.219 134 K C 0.292 176.877 176.600 -0.025 0.000 1.058 134 K CA 0.302 56.572 56.287 -0.028 0.000 0.920 134 K CB 0.367 32.841 32.500 -0.044 0.000 1.124 134 K HN 0.206 nan 8.250 nan 0.000 0.464 135 V N 0.969 120.861 119.914 -0.037 0.000 3.319 135 V HA -0.103 4.017 4.120 -0.001 0.000 0.193 135 V C -2.643 173.449 176.094 -0.003 0.000 0.675 135 V CA 0.775 63.064 62.300 -0.019 0.000 1.220 135 V CB -1.027 30.797 31.823 0.001 0.000 1.244 135 V HN 0.291 nan 8.190 nan 0.000 1.182 136 P HA 0.125 nan 4.420 nan 0.000 0.235 136 P C 1.083 178.384 177.300 0.002 0.000 1.765 136 P CA -0.139 62.960 63.100 -0.002 0.000 1.034 136 P CB -0.121 31.564 31.700 -0.025 0.000 1.984 137 F N 3.334 123.208 119.950 -0.125 0.000 2.054 137 F HA -0.412 4.115 4.527 -0.001 0.000 0.294 137 F C 2.372 178.105 175.800 -0.111 0.000 1.126 137 F CA 2.825 60.725 58.000 -0.166 0.000 1.226 137 F CB -0.928 37.967 39.000 -0.175 0.000 0.947 137 F HN 0.288 nan 8.300 nan 0.000 0.509 138 A N -0.582 122.356 122.820 0.197 0.000 1.954 138 A HA -0.322 3.998 4.320 -0.001 0.000 0.222 138 A C 1.833 179.378 177.584 -0.066 0.000 1.199 138 A CA 2.306 54.397 52.037 0.089 0.000 0.657 138 A CB -1.548 17.508 19.000 0.093 0.000 0.823 138 A HN 0.640 nan 8.150 nan 0.000 0.463 139 S N -0.693 114.954 115.700 -0.088 0.000 3.149 139 S HA 0.501 4.971 4.470 -0.001 0.000 0.228 139 S C 0.094 174.593 174.600 -0.168 0.000 1.393 139 S CA -0.635 57.498 58.200 -0.112 0.000 1.224 139 S CB -0.131 63.016 63.200 -0.089 0.000 1.112 139 S HN 0.326 nan 8.310 nan 0.000 0.502 140 R N 1.159 121.528 120.500 -0.219 0.000 2.686 140 R HA 0.455 4.795 4.340 -0.001 0.000 0.283 140 R C -0.352 175.954 176.300 0.010 0.000 0.978 140 R CA -1.124 54.870 56.100 -0.177 0.000 0.897 140 R CB 1.313 31.337 30.300 -0.459 0.000 1.192 140 R HN 0.495 nan 8.270 nan 0.000 0.457 141 F N -0.421 119.440 119.950 -0.149 0.000 2.746 141 F HA 0.462 4.988 4.527 -0.001 0.000 0.320 141 F C -0.461 175.305 175.800 -0.056 0.000 1.097 141 F CA -1.092 56.868 58.000 -0.067 0.000 1.195 141 F CB 0.132 39.134 39.000 0.004 0.000 1.056 141 F HN -0.025 nan 8.300 nan 0.000 0.562 142 V N 2.040 121.887 119.914 -0.111 0.000 2.808 142 V HA 0.627 4.746 4.120 -0.001 0.000 0.308 142 V C -1.809 174.269 176.094 -0.027 0.000 1.099 142 V CA -0.641 61.476 62.300 -0.305 0.000 0.920 142 V CB 2.628 34.136 31.823 -0.524 0.000 1.014 142 V HN 0.130 nan 8.190 nan 0.000 0.425 143 F N 3.534 123.343 119.950 -0.234 0.000 2.639 143 F HA 0.578 5.104 4.527 -0.001 0.000 0.320 143 F C -0.820 174.931 175.800 -0.082 0.000 1.128 143 F CA -1.129 56.800 58.000 -0.118 0.000 1.037 143 F CB 2.003 40.967 39.000 -0.059 0.000 1.288 143 F HN 0.635 nan 8.300 nan 0.000 0.463 144 E N 5.182 125.190 120.200 -0.321 0.000 2.055 144 E HA 0.228 4.577 4.350 -0.001 0.000 0.274 144 E C -0.904 175.302 176.600 -0.657 0.000 0.949 144 E CA -0.361 55.825 56.400 -0.356 0.000 0.775 144 E CB 0.994 30.616 29.700 -0.130 0.000 1.097 144 E HN 0.500 nan 8.360 nan 0.000 0.404 145 K N 5.713 125.800 120.400 -0.523 0.000 2.079 145 K HA -0.034 4.286 4.320 -0.001 0.000 0.255 145 K C 0.770 177.221 176.600 -0.247 0.000 1.114 145 K CA 0.147 56.171 56.287 -0.438 0.000 1.056 145 K CB 0.076 32.436 32.500 -0.233 0.000 1.176 145 K HN 0.621 nan 8.250 nan 0.000 0.353 146 K N 1.998 122.260 120.400 -0.231 0.000 2.031 146 K HA -0.359 3.960 4.320 -0.001 0.000 0.228 146 K C 1.797 178.350 176.600 -0.079 0.000 1.050 146 K CA 1.718 57.941 56.287 -0.107 0.000 0.980 146 K CB -0.406 32.066 32.500 -0.046 0.000 0.738 146 K HN 0.362 nan 8.250 nan 0.000 0.451 147 R N 0.926 121.387 120.500 -0.066 0.000 2.171 147 R HA -0.230 4.109 4.340 -0.001 0.000 0.226 147 R C 2.543 178.807 176.300 -0.060 0.000 1.113 147 R CA 2.432 58.501 56.100 -0.052 0.000 0.887 147 R CB -0.238 30.037 30.300 -0.041 0.000 0.830 147 R HN 0.516 nan 8.270 nan 0.000 0.432 148 E N -0.727 119.433 120.200 -0.066 0.000 2.062 148 E HA 0.002 4.351 4.350 -0.001 0.000 0.196 148 E C 0.012 176.555 176.600 -0.095 0.000 0.949 148 E CA 0.991 57.348 56.400 -0.071 0.000 0.889 148 E CB -0.234 29.431 29.700 -0.059 0.000 0.928 148 E HN 0.207 nan 8.360 nan 0.000 0.476 149 T N 1.857 116.350 114.554 -0.102 0.000 2.909 149 T HA 0.394 4.744 4.350 -0.001 0.000 0.289 149 T C -2.541 172.058 174.700 -0.168 0.000 1.005 149 T CA -2.290 59.724 62.100 -0.143 0.000 1.084 149 T CB 1.119 69.915 68.868 -0.121 0.000 0.975 149 T HN 0.046 nan 8.240 nan 0.000 0.509 150 P HA 0.326 nan 4.420 nan 0.000 0.282 150 P C -1.132 176.057 177.300 -0.185 0.000 1.262 150 P CA -0.414 62.536 63.100 -0.250 0.000 0.773 150 P CB 0.441 31.856 31.700 -0.476 0.000 0.879 151 K N 3.482 123.851 120.400 -0.052 0.000 2.530 151 K HA 0.332 4.652 4.320 -0.001 0.000 0.230 151 K C -0.440 176.187 176.600 0.046 0.000 1.002 151 K CA -0.811 55.497 56.287 0.035 0.000 1.014 151 K CB 1.124 33.656 32.500 0.053 0.000 1.286 151 K HN 0.440 nan 8.250 nan 0.000 0.480 152 L N 4.816 126.101 121.223 0.103 0.000 2.290 152 L HA 0.460 4.800 4.340 -0.001 0.000 0.284 152 L C -0.926 175.909 176.870 -0.059 0.000 1.078 152 L CA -0.184 54.631 54.840 -0.042 0.000 0.815 152 L CB 0.430 42.410 42.059 -0.131 0.000 1.162 152 L HN 0.479 nan 8.230 nan 0.000 0.435 153 I N 6.177 126.689 120.570 -0.097 0.000 2.465 153 I HA 0.479 4.648 4.170 -0.001 0.000 0.291 153 I C -0.602 175.402 176.117 -0.189 0.000 1.014 153 I CA -0.633 60.637 61.300 -0.050 0.000 1.093 153 I CB 1.785 39.810 38.000 0.041 0.000 1.267 153 I HN 0.483 nan 8.210 nan 0.000 0.431 154 I N 4.549 124.996 120.570 -0.204 0.000 3.279 154 I HA 0.566 4.736 4.170 -0.001 0.000 0.315 154 I C -0.944 175.219 176.117 0.078 0.000 1.187 154 I CA -0.686 60.497 61.300 -0.195 0.000 0.953 154 I CB 2.116 39.916 38.000 -0.335 0.000 1.279 154 I HN 0.719 nan 8.210 nan 0.000 0.465 155 N N 1.007 119.799 118.700 0.153 0.000 3.127 155 N HA 0.555 5.294 4.740 -0.001 0.000 0.239 155 N C -2.072 173.589 175.510 0.251 0.000 1.407 155 N CA -0.363 52.827 53.050 0.235 0.000 0.891 155 N CB 2.246 40.841 38.487 0.180 0.000 1.447 155 N HN 0.366 nan 8.380 nan 0.000 0.507 156 I N -0.137 120.554 120.570 0.202 0.000 2.722 156 I HA 0.407 4.576 4.170 -0.001 0.000 0.295 156 I C 0.764 176.935 176.117 0.090 0.000 1.161 156 I CA -0.612 60.790 61.300 0.170 0.000 1.032 156 I CB 2.125 40.191 38.000 0.111 0.000 1.244 156 I HN 0.776 nan 8.210 nan 0.000 0.421 157 K N 2.094 122.540 120.400 0.077 0.000 2.218 157 K HA 0.361 4.681 4.320 -0.001 0.000 0.222 157 K C 0.125 176.712 176.600 -0.020 0.000 1.030 157 K CA 1.134 57.437 56.287 0.028 0.000 0.946 157 K CB -0.012 32.512 32.500 0.040 0.000 1.000 157 K HN 0.660 nan 8.250 nan 0.000 0.461 158 D N -1.943 118.462 120.400 0.008 0.000 2.538 158 D HA 0.207 4.847 4.640 -0.001 0.000 0.262 158 D C 0.577 176.852 176.300 -0.042 0.000 1.186 158 D CA -0.174 53.823 54.000 -0.006 0.000 1.090 158 D CB 0.115 41.002 40.800 0.145 0.000 1.187 158 D HN 0.120 nan 8.370 nan 0.000 0.614 159 Y N 0.188 120.492 120.300 0.008 0.000 2.632 159 Y HA 0.245 4.795 4.550 -0.001 0.000 0.301 159 Y C 1.690 177.599 175.900 0.016 0.000 1.172 159 Y CA 0.180 58.283 58.100 0.006 0.000 1.328 159 Y CB -0.638 37.819 38.460 -0.004 0.000 1.016 159 Y HN 0.190 nan 8.280 nan 0.000 0.529 160 A N -0.129 122.777 122.820 0.143 0.000 2.250 160 A HA 0.022 4.342 4.320 -0.001 0.000 0.208 160 A C 1.882 179.521 177.584 0.091 0.000 1.254 160 A CA 0.526 52.625 52.037 0.104 0.000 0.858 160 A CB -1.241 17.808 19.000 0.083 0.000 0.820 160 A HN 0.581 nan 8.150 nan 0.000 0.484 161 I N -0.622 120.007 120.570 0.097 0.000 2.676 161 I HA -0.186 3.984 4.170 -0.001 0.000 0.259 161 I C 2.087 178.236 176.117 0.055 0.000 1.194 161 I CA 0.238 61.598 61.300 0.100 0.000 1.473 161 I CB -0.318 37.744 38.000 0.102 0.000 1.096 161 I HN 0.403 nan 8.210 nan 0.000 0.443 162 N N 0.967 119.690 118.700 0.038 0.000 2.020 162 N HA -0.160 4.579 4.740 -0.001 0.000 0.191 162 N C 1.883 177.394 175.510 0.002 0.000 1.089 162 N CA 1.693 54.750 53.050 0.013 0.000 0.879 162 N CB -0.600 37.897 38.487 0.016 0.000 1.057 162 N HN 0.111 nan 8.380 nan 0.000 0.428 163 S N 0.536 116.239 115.700 0.006 0.000 2.402 163 S HA -0.258 4.211 4.470 -0.001 0.000 0.281 163 S C 0.867 175.464 174.600 -0.005 0.000 1.097 163 S CA 1.452 59.651 58.200 -0.001 0.000 1.368 163 S CB -0.567 62.636 63.200 0.005 0.000 1.255 163 S HN 0.490 nan 8.310 nan 0.000 0.450 164 E N 0.668 120.872 120.200 0.006 0.000 2.081 164 E HA 0.212 4.562 4.350 -0.001 0.000 0.281 164 E C -0.130 176.476 176.600 0.010 0.000 0.986 164 E CA -0.260 56.143 56.400 0.006 0.000 0.796 164 E CB 0.667 30.377 29.700 0.016 0.000 1.085 164 E HN 0.249 nan 8.360 nan 0.000 0.398 165 Q N 1.455 121.242 119.800 -0.023 0.000 2.451 165 Q HA -0.010 4.329 4.340 -0.001 0.000 0.206 165 Q C 1.599 177.590 176.000 -0.015 0.000 0.947 165 Q CA 0.220 55.998 55.803 -0.042 0.000 0.937 165 Q CB 0.335 28.981 28.738 -0.153 0.000 1.025 165 Q HN 0.434 nan 8.270 nan 0.000 0.511 166 S N 0.723 116.431 115.700 0.013 0.000 2.571 166 S HA -0.185 4.285 4.470 -0.001 0.000 0.245 166 S C 1.466 176.090 174.600 0.041 0.000 0.976 166 S CA 1.317 59.533 58.200 0.028 0.000 0.954 166 S CB 0.033 63.259 63.200 0.043 0.000 0.756 166 S HN 0.534 nan 8.310 nan 0.000 0.535 167 K N 0.145 120.609 120.400 0.107 0.000 2.240 167 K HA 0.218 4.538 4.320 -0.001 0.000 0.202 167 K C 2.005 178.849 176.600 0.406 0.000 1.053 167 K CA 0.490 56.932 56.287 0.259 0.000 0.973 167 K CB -0.678 31.936 32.500 0.190 0.000 0.924 167 K HN 0.337 nan 8.250 nan 0.000 0.477 168 E N 1.641 122.001 120.200 0.267 0.000 2.268 168 E HA -0.120 4.229 4.350 -0.001 0.000 0.195 168 E C 1.771 178.490 176.600 0.199 0.000 0.995 168 E CA 0.464 57.015 56.400 0.251 0.000 0.836 168 E CB 0.127 29.903 29.700 0.126 0.000 0.763 168 E HN 0.190 nan 8.360 nan 0.000 0.491 169 V N 0.326 120.291 119.914 0.085 0.000 2.982 169 V HA -0.222 3.898 4.120 -0.001 0.000 0.265 169 V C 1.028 177.148 176.094 0.043 0.000 1.122 169 V CA 1.526 63.846 62.300 0.033 0.000 1.143 169 V CB -0.545 31.259 31.823 -0.031 0.000 0.726 169 V HN 0.426 nan 8.190 nan 0.000 0.507 170 Y N -2.434 118.037 120.300 0.285 0.000 2.503 170 Y HA -0.013 4.537 4.550 -0.001 0.000 0.278 170 Y C 2.008 178.023 175.900 0.193 0.000 1.111 170 Y CA 0.853 59.104 58.100 0.251 0.000 1.270 170 Y CB 0.044 38.677 38.460 0.288 0.000 1.063 170 Y HN 0.351 nan 8.280 nan 0.000 0.548 171 Y N 1.232 121.639 120.300 0.178 0.000 2.639 171 Y HA -0.152 4.398 4.550 -0.001 0.000 0.297 171 Y C 1.428 177.387 175.900 0.098 0.000 1.151 171 Y CA 0.985 59.115 58.100 0.049 0.000 1.335 171 Y CB -0.059 38.400 38.460 -0.002 0.000 0.994 171 Y HN 0.125 nan 8.280 nan 0.000 0.548 172 E N -0.375 120.067 120.200 0.404 0.000 2.094 172 E HA 0.002 4.351 4.350 -0.001 0.000 0.193 172 E C 2.205 179.005 176.600 0.334 0.000 0.950 172 E CA 0.909 57.573 56.400 0.440 0.000 0.842 172 E CB -0.421 29.610 29.700 0.553 0.000 0.816 172 E HN 0.452 nan 8.360 nan 0.000 0.465 173 I N 0.315 121.100 120.570 0.359 0.000 2.142 173 I HA -0.155 4.015 4.170 -0.001 0.000 0.240 173 I C 2.043 178.304 176.117 0.240 0.000 1.078 173 I CA 1.893 63.386 61.300 0.321 0.000 1.343 173 I CB -0.472 37.761 38.000 0.387 0.000 1.046 173 I HN 0.231 nan 8.210 nan 0.000 0.405 174 G N 0.907 109.867 108.800 0.267 0.000 2.581 174 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.223 174 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.223 174 G C 1.661 176.579 174.900 0.030 0.000 1.094 174 G CA 1.379 46.567 45.100 0.147 0.000 0.736 174 G HN 0.526 nan 8.290 nan 0.000 0.588 175 K N -0.390 120.024 120.400 0.023 0.000 2.107 175 K HA 0.213 4.532 4.320 -0.001 0.000 0.211 175 K C 2.657 179.179 176.600 -0.129 0.000 1.024 175 K CA 0.907 57.126 56.287 -0.114 0.000 0.953 175 K CB -0.847 31.572 32.500 -0.136 0.000 0.831 175 K HN 0.072 nan 8.250 nan 0.000 0.454 176 G N 3.016 111.705 108.800 -0.185 0.000 2.917 176 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.249 176 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.249 176 G C 1.459 176.380 174.900 0.035 0.000 1.101 176 G CA 2.338 47.371 45.100 -0.110 0.000 0.732 176 G HN 0.548 nan 8.290 nan 0.000 0.650 177 I N 1.679 122.293 120.570 0.074 0.000 2.479 177 I HA -0.215 3.954 4.170 -0.001 0.000 0.258 177 I C 2.870 179.009 176.117 0.035 0.000 1.165 177 I CA 1.483 62.824 61.300 0.067 0.000 1.422 177 I CB -0.949 37.099 38.000 0.080 0.000 1.087 177 I HN 0.413 nan 8.210 nan 0.000 0.441 178 S N 3.803 119.525 115.700 0.036 0.000 2.436 178 S HA -0.173 4.296 4.470 -0.001 0.000 0.208 178 S C 2.015 176.658 174.600 0.072 0.000 1.063 178 S CA 1.265 59.537 58.200 0.120 0.000 1.120 178 S CB -1.181 62.167 63.200 0.247 0.000 1.053 178 S HN 0.624 nan 8.310 nan 0.000 0.407 179 L N 1.635 122.890 121.223 0.054 0.000 1.961 179 L HA -0.100 4.239 4.340 -0.001 0.000 0.210 179 L C 2.494 179.316 176.870 -0.078 0.000 1.072 179 L CA 2.115 56.952 54.840 -0.005 0.000 0.749 179 L CB -1.910 40.126 42.059 -0.039 0.000 0.889 179 L HN 0.504 nan 8.230 nan 0.000 0.432 180 D N 1.708 122.057 120.400 -0.086 0.000 3.146 180 D HA -0.435 4.205 4.640 -0.001 0.000 0.362 180 D C 1.974 178.079 176.300 -0.325 0.000 1.082 180 D CA 2.939 56.729 54.000 -0.351 0.000 1.135 180 D CB -1.144 39.675 40.800 0.031 0.000 1.068 180 D HN 0.615 nan 8.370 nan 0.000 0.500 181 I N -0.591 119.887 120.570 -0.153 0.000 2.730 181 I HA -0.183 3.987 4.170 -0.001 0.000 0.266 181 I C 1.652 177.701 176.117 -0.113 0.000 1.228 181 I CA 1.135 62.366 61.300 -0.115 0.000 1.445 181 I CB -0.049 37.912 38.000 -0.066 0.000 1.102 181 I HN 0.286 nan 8.210 nan 0.000 0.464 182 I N -1.193 119.302 120.570 -0.125 0.000 4.390 182 I HA 0.119 4.288 4.170 -0.001 0.000 0.334 182 I C 0.962 177.019 176.117 -0.100 0.000 1.379 182 I CA 0.147 61.391 61.300 -0.094 0.000 1.197 182 I CB -0.008 37.948 38.000 -0.073 0.000 1.396 182 I HN 0.067 nan 8.210 nan 0.000 0.511 183 S N 0.909 116.506 115.700 -0.173 0.000 2.397 183 S HA 0.110 4.579 4.470 -0.001 0.000 0.261 183 S C 1.332 175.809 174.600 -0.206 0.000 1.187 183 S CA 0.505 58.593 58.200 -0.186 0.000 1.023 183 S CB 1.182 64.177 63.200 -0.341 0.000 1.103 183 S HN 0.311 nan 8.310 nan 0.000 0.474 184 K N 0.756 121.016 120.400 -0.233 0.000 2.166 184 K HA 0.071 4.391 4.320 -0.001 0.000 0.201 184 K C 1.528 178.087 176.600 -0.070 0.000 1.052 184 K CA 1.423 57.672 56.287 -0.063 0.000 0.969 184 K CB -0.787 31.769 32.500 0.093 0.000 0.761 184 K HN 0.499 nan 8.250 nan 0.000 0.459 185 D N 1.254 121.554 120.400 -0.165 0.000 2.633 185 D HA -0.280 4.359 4.640 -0.001 0.000 0.206 185 D C 0.552 176.806 176.300 -0.076 0.000 1.055 185 D CA 1.757 55.706 54.000 -0.086 0.000 0.903 185 D CB -0.004 40.725 40.800 -0.118 0.000 1.115 185 D HN 0.295 nan 8.370 nan 0.000 0.479 186 K N -0.272 120.068 120.400 -0.101 0.000 3.135 186 K HA 0.204 4.524 4.320 -0.001 0.000 0.210 186 K C 0.763 177.322 176.600 -0.068 0.000 1.176 186 K CA -0.105 56.140 56.287 -0.070 0.000 1.064 186 K CB 0.234 32.696 32.500 -0.064 0.000 1.009 186 K HN 0.023 nan 8.250 nan 0.000 0.472 187 S N 0.371 116.033 115.700 -0.064 0.000 2.315 187 S HA 0.081 4.550 4.470 -0.001 0.000 0.211 187 S C 1.238 175.822 174.600 -0.026 0.000 1.029 187 S CA 0.347 58.516 58.200 -0.052 0.000 0.956 187 S CB 0.015 63.187 63.200 -0.047 0.000 0.918 187 S HN 0.378 nan 8.310 nan 0.000 0.470 188 L N 0.763 121.981 121.223 -0.008 0.000 2.635 188 L HA 0.447 4.786 4.340 -0.001 0.000 0.144 188 L C 0.532 177.402 176.870 0.000 0.000 1.632 188 L CA -0.477 54.363 54.840 0.000 0.000 2.943 188 L CB -0.573 41.494 42.059 0.013 0.000 3.002 188 L HN 0.221 nan 8.230 nan 0.000 0.812 189 D N -0.858 119.552 120.400 0.016 0.000 2.539 189 D HA 0.265 4.905 4.640 -0.001 0.000 0.280 189 D C -2.563 173.741 176.300 0.006 0.000 1.208 189 D CA -1.086 52.919 54.000 0.008 0.000 1.088 189 D CB 0.001 40.813 40.800 0.021 0.000 1.149 189 D HN 0.181 nan 8.370 nan 0.000 0.596 190 P HA 0.012 nan 4.420 nan 0.000 0.254 190 P C -0.897 176.415 177.300 0.021 0.000 1.186 190 P CA 0.532 63.602 63.100 -0.049 0.000 0.868 190 P CB 0.169 31.799 31.700 -0.118 0.000 0.856 191 E N 2.667 122.903 120.200 0.059 0.000 2.259 191 E HA 0.110 4.459 4.350 -0.001 0.000 0.281 191 E C 1.021 177.736 176.600 0.191 0.000 1.027 191 E CA -0.612 55.886 56.400 0.164 0.000 0.838 191 E CB 0.209 29.985 29.700 0.126 0.000 1.066 191 E HN 0.299 nan 8.360 nan 0.000 0.401 192 F N 1.423 121.353 119.950 -0.033 0.000 2.204 192 F HA -0.290 4.236 4.527 -0.001 0.000 0.301 192 F C 1.966 177.743 175.800 -0.039 0.000 1.058 192 F CA 0.921 58.897 58.000 -0.039 0.000 1.313 192 F CB -0.704 38.280 39.000 -0.026 0.000 1.051 192 F HN 0.450 nan 8.300 nan 0.000 0.505 193 L N -0.453 120.875 121.223 0.176 0.000 2.017 193 L HA -0.259 4.081 4.340 -0.001 0.000 0.208 193 L C 2.521 179.388 176.870 -0.005 0.000 1.073 193 L CA 1.871 56.772 54.840 0.102 0.000 0.745 193 L CB -0.600 41.546 42.059 0.145 0.000 0.894 193 L HN 0.238 nan 8.230 nan 0.000 0.432 194 N N 0.106 118.803 118.700 -0.005 0.000 2.415 194 N HA -0.113 4.627 4.740 -0.001 0.000 0.176 194 N C 1.816 177.218 175.510 -0.179 0.000 1.042 194 N CA 0.445 53.420 53.050 -0.125 0.000 0.902 194 N CB 0.308 38.812 38.487 0.028 0.000 0.986 194 N HN 0.166 nan 8.380 nan 0.000 0.447 195 L N 1.246 122.372 121.223 -0.162 0.000 2.109 195 L HA 0.138 4.478 4.340 -0.001 0.000 0.207 195 L C 1.926 178.653 176.870 -0.238 0.000 1.086 195 L CA 1.170 55.848 54.840 -0.270 0.000 0.760 195 L CB -0.454 41.381 42.059 -0.374 0.000 0.910 195 L HN 0.108 nan 8.230 nan 0.000 0.437 196 I N -1.179 119.302 120.570 -0.148 0.000 2.400 196 I HA -0.123 4.047 4.170 -0.001 0.000 0.248 196 I C 2.244 178.306 176.117 -0.092 0.000 1.109 196 I CA 0.383 61.628 61.300 -0.092 0.000 1.425 196 I CB -0.378 37.613 38.000 -0.014 0.000 1.094 196 I HN 0.096 nan 8.210 nan 0.000 0.425 197 K N 0.749 121.064 120.400 -0.143 0.000 2.209 197 K HA -0.115 4.205 4.320 -0.001 0.000 0.204 197 K C 2.058 178.588 176.600 -0.117 0.000 1.048 197 K CA 1.065 57.243 56.287 -0.182 0.000 0.940 197 K CB -0.290 31.939 32.500 -0.453 0.000 0.729 197 K HN 0.121 nan 8.250 nan 0.000 0.451 198 S N 0.184 115.798 115.700 -0.144 0.000 2.607 198 S HA 0.071 4.541 4.470 -0.001 0.000 0.224 198 S C 1.252 175.845 174.600 -0.011 0.000 0.969 198 S CA 0.001 58.141 58.200 -0.100 0.000 0.927 198 S CB 0.002 62.965 63.200 -0.395 0.000 0.772 198 S HN 0.263 nan 8.310 nan 0.000 0.533 199 L N 1.120 122.343 121.223 -0.000 0.000 2.741 199 L HA 0.294 4.634 4.340 -0.001 0.000 0.237 199 L C 1.641 178.589 176.870 0.130 0.000 1.178 199 L CA -0.012 54.862 54.840 0.057 0.000 0.973 199 L CB 0.119 42.183 42.059 0.008 0.000 1.255 199 L HN 0.243 nan 8.230 nan 0.000 0.498 200 S N -0.456 115.349 115.700 0.174 0.000 2.786 200 S HA -0.098 4.372 4.470 -0.001 0.000 0.223 200 S C 1.233 176.046 174.600 0.355 0.000 0.956 200 S CA 0.199 58.521 58.200 0.203 0.000 0.961 200 S CB -0.215 63.097 63.200 0.187 0.000 0.784 200 S HN 0.421 nan 8.310 nan 0.000 0.519 201 D N 2.478 123.128 120.400 0.415 0.000 2.137 201 D HA -0.142 4.498 4.640 -0.001 0.000 0.193 201 D C 0.707 177.267 176.300 0.433 0.000 0.993 201 D CA 2.074 56.492 54.000 0.698 0.000 0.846 201 D CB 0.109 41.173 40.800 0.440 0.000 0.990 201 D HN 0.737 nan 8.370 nan 0.000 0.448 202 D N -2.552 117.979 120.400 0.220 0.000 3.285 202 D HA 0.112 4.752 4.640 -0.001 0.000 0.314 202 D C 0.260 176.596 176.300 0.060 0.000 1.601 202 D CA 0.301 54.349 54.000 0.080 0.000 0.772 202 D CB -0.188 40.637 40.800 0.041 0.000 1.312 202 D HN 0.129 nan 8.370 nan 0.000 0.550 203 S N -1.012 114.731 115.700 0.071 0.000 2.942 203 S HA 0.063 4.532 4.470 -0.001 0.000 0.220 203 S C 1.406 176.028 174.600 0.037 0.000 0.945 203 S CA 0.299 58.528 58.200 0.049 0.000 0.851 203 S CB -0.133 63.099 63.200 0.052 0.000 0.820 203 S HN -0.034 nan 8.310 nan 0.000 0.624 204 D N 2.159 122.585 120.400 0.043 0.000 2.137 204 D HA -0.019 4.621 4.640 -0.001 0.000 0.193 204 D C 1.126 177.442 176.300 0.026 0.000 0.993 204 D CA 1.496 55.517 54.000 0.035 0.000 0.846 204 D CB -0.554 40.270 40.800 0.040 0.000 0.990 204 D HN 0.449 nan 8.370 nan 0.000 0.448 205 S N -0.827 114.890 115.700 0.029 0.000 2.616 205 S HA 0.155 4.625 4.470 -0.001 0.000 0.277 205 S C 0.578 175.175 174.600 -0.005 0.000 1.234 205 S CA -0.537 57.672 58.200 0.014 0.000 1.028 205 S CB 1.304 64.516 63.200 0.021 0.000 0.988 205 S HN -0.023 nan 8.310 nan 0.000 0.522 206 S N 2.895 118.584 115.700 -0.017 0.000 2.954 206 S HA 0.099 4.569 4.470 -0.001 0.000 0.234 206 S C -0.472 174.091 174.600 -0.061 0.000 0.978 206 S CA 0.063 58.242 58.200 -0.035 0.000 1.045 206 S CB -0.500 62.679 63.200 -0.034 0.000 0.807 206 S HN 0.587 nan 8.310 nan 0.000 0.508 207 D N 1.769 122.133 120.400 -0.060 0.000 2.462 207 D HA 0.235 4.874 4.640 -0.001 0.000 0.249 207 D C -0.597 175.615 176.300 -0.146 0.000 1.117 207 D CA -0.296 53.647 54.000 -0.095 0.000 0.900 207 D CB 1.230 41.995 40.800 -0.058 0.000 1.039 207 D HN 0.115 nan 8.370 nan 0.000 0.516 208 L N 2.646 123.729 121.223 -0.233 0.000 3.036 208 L HA 0.220 4.559 4.340 -0.001 0.000 0.237 208 L C 0.197 176.711 176.870 -0.594 0.000 1.319 208 L CA -0.076 54.497 54.840 -0.445 0.000 1.112 208 L CB -0.049 41.825 42.059 -0.309 0.000 1.480 208 L HN 0.156 nan 8.230 nan 0.000 0.506 209 L N 1.759 122.740 121.223 -0.404 0.000 2.504 209 L HA 0.367 4.706 4.340 -0.001 0.000 0.249 209 L C -0.399 176.472 176.870 0.002 0.000 1.120 209 L CA -0.115 54.580 54.840 -0.240 0.000 0.997 209 L CB -0.086 41.801 42.059 -0.286 0.000 1.349 209 L HN 0.233 nan 8.230 nan 0.000 0.439 210 F N -0.391 119.617 119.950 0.097 0.000 2.761 210 F HA 0.443 4.969 4.527 -0.001 0.000 0.367 210 F C 0.898 176.713 175.800 0.026 0.000 1.386 210 F CA -1.294 56.724 58.000 0.029 0.000 1.177 210 F CB -0.597 38.395 39.000 -0.012 0.000 1.092 210 F HN 0.195 nan 8.300 nan 0.000 0.517 211 S N 0.740 116.666 115.700 0.376 0.000 2.768 211 S HA 0.086 4.556 4.470 -0.001 0.000 0.246 211 S C 1.139 175.803 174.600 0.108 0.000 1.006 211 S CA 0.164 58.522 58.200 0.262 0.000 1.075 211 S CB -0.261 63.068 63.200 0.214 0.000 0.786 211 S HN 0.699 nan 8.310 nan 0.000 0.468 212 Q N 0.415 120.229 119.800 0.023 0.000 2.442 212 Q HA 0.173 4.513 4.340 -0.001 0.000 0.228 212 Q C 1.501 177.425 176.000 -0.127 0.000 0.902 212 Q CA 0.074 55.805 55.803 -0.120 0.000 0.933 212 Q CB -0.089 28.482 28.738 -0.278 0.000 1.071 212 Q HN 0.600 nan 8.270 nan 0.000 0.562 213 K N -0.413 119.872 120.400 -0.192 0.000 2.450 213 K HA 0.267 4.586 4.320 -0.001 0.000 0.206 213 K C 0.149 176.822 176.600 0.121 0.000 1.148 213 K CA -0.133 56.064 56.287 -0.149 0.000 1.014 213 K CB 0.556 32.826 32.500 -0.384 0.000 0.966 213 K HN -0.012 nan 8.250 nan 0.000 0.566 214 F N 2.011 121.912 119.950 -0.081 0.000 2.438 214 F HA 0.367 4.893 4.527 -0.001 0.000 0.315 214 F C 1.031 176.794 175.800 -0.063 0.000 1.258 214 F CA -1.011 56.878 58.000 -0.186 0.000 1.180 214 F CB 1.061 39.722 39.000 -0.565 0.000 1.412 214 F HN -0.053 nan 8.300 nan 0.000 0.544 215 K N 1.722 122.212 120.400 0.150 0.000 2.267 215 K HA 0.006 4.325 4.320 -0.001 0.000 0.213 215 K C 1.703 178.342 176.600 0.064 0.000 1.060 215 K CA 0.983 57.336 56.287 0.110 0.000 0.935 215 K CB 0.026 32.577 32.500 0.084 0.000 1.096 215 K HN 0.414 nan 8.250 nan 0.000 0.468 216 E N -0.292 119.932 120.200 0.039 0.000 2.478 216 E HA 0.017 4.366 4.350 -0.001 0.000 0.194 216 E C 0.886 177.486 176.600 -0.000 0.000 1.045 216 E CA 0.445 56.855 56.400 0.017 0.000 0.868 216 E CB 0.330 30.034 29.700 0.007 0.000 0.885 216 E HN 0.023 nan 8.360 nan 0.000 0.505 217 K N 0.188 120.582 120.400 -0.011 0.000 2.435 217 K HA 0.176 4.496 4.320 -0.001 0.000 0.199 217 K C 0.227 176.755 176.600 -0.120 0.000 1.153 217 K CA -0.033 56.221 56.287 -0.055 0.000 0.974 217 K CB 0.961 33.421 32.500 -0.067 0.000 0.997 217 K HN 0.109 nan 8.250 nan 0.000 0.547 218 L N 2.668 123.817 121.223 -0.124 0.000 2.678 218 L HA 0.197 4.537 4.340 -0.001 0.000 0.250 218 L C 0.206 177.049 176.870 -0.044 0.000 1.455 218 L CA 0.133 54.858 54.840 -0.193 0.000 0.823 218 L CB 0.332 42.067 42.059 -0.540 0.000 1.107 218 L HN 0.095 nan 8.230 nan 0.000 0.514 219 E N 0.282 120.483 120.200 0.000 0.000 2.465 219 E HA 0.052 4.402 4.350 -0.001 0.000 0.195 219 E C 0.393 177.011 176.600 0.030 0.000 1.028 219 E CA -0.305 56.136 56.400 0.068 0.000 0.899 219 E CB 0.291 30.023 29.700 0.054 0.000 1.032 219 E HN 0.373 nan 8.360 nan 0.000 0.468 220 L N 2.192 123.395 121.223 -0.034 0.000 2.648 220 L HA 0.231 4.571 4.340 -0.001 0.000 0.238 220 L C 0.311 177.161 176.870 -0.034 0.000 1.316 220 L CA -0.118 54.671 54.840 -0.085 0.000 1.241 220 L CB -0.390 41.534 42.059 -0.225 0.000 1.499 220 L HN -0.020 nan 8.230 nan 0.000 0.411 221 N N 0.610 119.345 118.700 0.058 0.000 2.494 221 N HA -0.012 4.728 4.740 -0.001 0.000 0.182 221 N C -0.071 175.469 175.510 0.050 0.000 1.076 221 N CA 0.402 53.524 53.050 0.120 0.000 0.908 221 N CB 0.052 38.637 38.487 0.163 0.000 0.967 221 N HN 0.577 nan 8.380 nan 0.000 0.449 222 N N 1.578 120.280 118.700 0.004 0.000 2.802 222 N HA 0.030 4.770 4.740 -0.001 0.000 0.288 222 N C -0.242 175.237 175.510 -0.052 0.000 1.268 222 N CA 0.251 53.292 53.050 -0.016 0.000 1.035 222 N CB 0.470 38.947 38.487 -0.018 0.000 1.353 222 N HN -0.032 nan 8.380 nan 0.000 0.522 223 K N 0.886 121.252 120.400 -0.056 0.000 2.599 223 K HA 0.050 4.370 4.320 -0.001 0.000 0.300 223 K C -1.055 175.518 176.600 -0.044 0.000 1.437 223 K CA -0.107 56.125 56.287 -0.092 0.000 0.989 223 K CB -0.114 32.252 32.500 -0.223 0.000 1.423 223 K HN -0.053 nan 8.250 nan 0.000 0.507 224 S N 3.351 119.056 115.700 0.009 0.000 2.626 224 S HA 0.047 4.517 4.470 -0.001 0.000 0.303 224 S C 0.867 175.518 174.600 0.085 0.000 1.256 224 S CA 0.198 58.427 58.200 0.049 0.000 1.069 224 S CB 0.012 63.234 63.200 0.037 0.000 0.807 224 S HN 0.342 nan 8.310 nan 0.000 0.500 225 I N 3.678 124.329 120.570 0.134 0.000 2.342 225 I HA 0.412 4.582 4.170 -0.001 0.000 0.291 225 I C 0.467 176.605 176.117 0.035 0.000 1.010 225 I CA 0.001 61.431 61.300 0.217 0.000 1.308 225 I CB 0.949 39.124 38.000 0.292 0.000 1.400 225 I HN 0.572 nan 8.210 nan 0.000 0.488 226 D N 3.276 123.680 120.400 0.007 0.000 3.734 226 D HA 0.288 4.927 4.640 -0.001 0.000 0.350 226 D C 0.701 176.930 176.300 -0.119 0.000 1.511 226 D CA -0.528 53.403 54.000 -0.114 0.000 0.956 226 D CB 0.539 41.284 40.800 -0.092 0.000 1.470 226 D HN 0.301 nan 8.370 nan 0.000 0.598 227 I N 1.102 121.587 120.570 -0.142 0.000 3.164 227 I HA -0.157 4.012 4.170 -0.001 0.000 0.278 227 I C 0.958 177.055 176.117 -0.033 0.000 1.320 227 I CA 0.787 62.020 61.300 -0.111 0.000 1.422 227 I CB -0.536 37.401 38.000 -0.105 0.000 1.066 227 I HN 0.109 nan 8.210 nan 0.000 0.503 228 N N 0.367 119.073 118.700 0.010 0.000 2.376 228 N HA -0.071 4.669 4.740 -0.001 0.000 0.177 228 N C 1.296 176.895 175.510 0.147 0.000 1.024 228 N CA 0.975 54.062 53.050 0.062 0.000 0.893 228 N CB 0.045 38.569 38.487 0.061 0.000 0.980 228 N HN 0.460 nan 8.380 nan 0.000 0.439 229 F N -0.372 119.559 119.950 -0.031 0.000 2.334 229 F HA 0.390 4.916 4.527 -0.001 0.000 0.269 229 F C 1.538 177.355 175.800 0.029 0.000 0.879 229 F CA -0.475 57.524 58.000 -0.001 0.000 1.102 229 F CB -0.614 38.390 39.000 0.008 0.000 1.032 229 F HN -0.138 nan 8.300 nan 0.000 0.782 230 I N 1.955 122.092 120.570 -0.723 0.000 2.292 230 I HA -0.487 3.682 4.170 -0.001 0.000 0.255 230 I C 1.870 177.740 176.117 -0.411 0.000 1.078 230 I CA 2.170 63.027 61.300 -0.739 0.000 1.365 230 I CB -0.223 37.417 38.000 -0.600 0.000 1.049 230 I HN 0.335 nan 8.210 nan 0.000 0.439 231 K N 0.271 120.512 120.400 -0.265 0.000 1.969 231 K HA -0.292 4.027 4.320 -0.001 0.000 0.216 231 K C 1.816 178.348 176.600 -0.114 0.000 1.048 231 K CA 1.861 58.064 56.287 -0.140 0.000 0.948 231 K CB -0.532 31.919 32.500 -0.081 0.000 0.726 231 K HN 0.233 nan 8.250 nan 0.000 0.442 232 E N 1.438 121.589 120.200 -0.081 0.000 2.340 232 E HA -0.255 4.094 4.350 -0.001 0.000 0.246 232 E C 0.078 176.671 176.600 -0.013 0.000 1.077 232 E CA 2.071 58.471 56.400 0.001 0.000 1.060 232 E CB -0.200 29.587 29.700 0.145 0.000 0.935 232 E HN 0.287 nan 8.360 nan 0.000 0.495 233 N N 0.597 119.258 118.700 -0.064 0.000 3.040 233 N HA 0.118 4.858 4.740 -0.001 0.000 0.305 233 N C 0.993 176.462 175.510 -0.069 0.000 1.611 233 N CA 0.321 53.337 53.050 -0.057 0.000 1.049 233 N CB 0.330 38.788 38.487 -0.048 0.000 1.342 233 N HN 0.359 nan 8.380 nan 0.000 0.497 234 L N -0.658 120.554 121.223 -0.018 0.000 1.971 234 L HA -0.211 4.129 4.340 -0.001 0.000 0.215 234 L C 2.418 179.283 176.870 -0.008 0.000 1.072 234 L CA 2.146 57.004 54.840 0.030 0.000 0.758 234 L CB -1.907 40.145 42.059 -0.012 0.000 0.889 234 L HN 0.176 nan 8.230 nan 0.000 0.433 235 T N -2.163 112.349 114.554 -0.070 0.000 2.680 235 T HA -0.347 4.002 4.350 -0.001 0.000 0.268 235 T C 1.789 176.256 174.700 -0.389 0.000 1.033 235 T CA 1.969 63.959 62.100 -0.182 0.000 1.152 235 T CB -0.793 68.018 68.868 -0.095 0.000 0.859 235 T HN 0.667 nan 8.240 nan 0.000 0.452 236 E N 0.140 120.224 120.200 -0.193 0.000 2.058 236 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 236 E C 1.489 178.017 176.600 -0.121 0.000 0.997 236 E CA 1.265 57.610 56.400 -0.093 0.000 0.801 236 E CB -0.274 29.256 29.700 -0.284 0.000 0.746 236 E HN 0.661 nan 8.360 nan 0.000 0.450 237 F N 1.121 121.078 119.950 0.011 0.000 2.805 237 F HA 0.004 4.531 4.527 -0.001 0.000 0.301 237 F C 2.173 178.034 175.800 0.101 0.000 1.196 237 F CA 0.598 58.655 58.000 0.094 0.000 1.439 237 F CB -0.001 38.992 39.000 -0.012 0.000 1.117 237 F HN 0.094 nan 8.300 nan 0.000 0.581 238 Q N -1.201 118.646 119.800 0.079 0.000 2.287 238 Q HA -0.051 4.289 4.340 -0.001 0.000 0.201 238 Q C 1.904 177.995 176.000 0.151 0.000 0.946 238 Q CA 0.518 56.365 55.803 0.073 0.000 0.868 238 Q CB -0.248 28.427 28.738 -0.104 0.000 0.967 238 Q HN 0.428 nan 8.270 nan 0.000 0.516 239 H N 0.858 120.054 119.070 0.210 0.000 2.466 239 H HA -0.118 4.437 4.556 -0.001 0.000 0.297 239 H C 1.898 177.342 175.328 0.193 0.000 1.113 239 H CA 1.443 57.603 56.048 0.186 0.000 1.273 239 H CB -0.199 29.646 29.762 0.138 0.000 1.371 239 H HN 0.317 nan 8.280 nan 0.000 0.528 240 A N 0.878 123.900 122.820 0.336 0.000 1.855 240 A HA -0.110 4.209 4.320 -0.001 0.000 0.213 240 A C 2.245 179.996 177.584 0.278 0.000 1.195 240 A CA 0.823 53.009 52.037 0.249 0.000 0.610 240 A CB -1.025 18.185 19.000 0.350 0.000 0.837 240 A HN 0.302 nan 8.150 nan 0.000 0.444 241 F N 1.583 121.681 119.950 0.246 0.000 2.307 241 F HA -0.161 4.366 4.527 -0.001 0.000 0.301 241 F C 2.302 178.282 175.800 0.300 0.000 1.076 241 F CA 1.509 59.676 58.000 0.279 0.000 1.383 241 F CB 0.039 39.189 39.000 0.249 0.000 1.055 241 F HN 0.210 nan 8.300 nan 0.000 0.526 242 S N 0.611 116.516 115.700 0.341 0.000 2.315 242 S HA -0.047 4.423 4.470 -0.001 0.000 0.211 242 S C 1.954 176.740 174.600 0.311 0.000 1.029 242 S CA 1.062 59.452 58.200 0.316 0.000 0.956 242 S CB -0.756 62.633 63.200 0.315 0.000 0.918 242 S HN 0.316 nan 8.310 nan 0.000 0.470 243 L N 1.533 122.899 121.223 0.239 0.000 2.349 243 L HA -0.148 4.191 4.340 -0.001 0.000 0.220 243 L C 2.570 179.509 176.870 0.115 0.000 1.130 243 L CA 0.892 55.830 54.840 0.163 0.000 0.791 243 L CB -0.750 41.293 42.059 -0.027 0.000 0.918 243 L HN 0.337 nan 8.230 nan 0.000 0.444 244 A N 0.058 122.946 122.820 0.113 0.000 1.855 244 A HA -0.194 4.126 4.320 -0.001 0.000 0.213 244 A C 2.121 179.829 177.584 0.206 0.000 1.195 244 A CA 0.969 53.067 52.037 0.101 0.000 0.610 244 A CB -0.721 18.307 19.000 0.046 0.000 0.837 244 A HN 0.342 nan 8.150 nan 0.000 0.444 245 F N 2.307 122.275 119.950 0.030 0.000 2.095 245 F HA -0.234 4.293 4.527 -0.001 0.000 0.298 245 F C 2.753 178.785 175.800 0.387 0.000 1.104 245 F CA 2.188 60.291 58.000 0.171 0.000 1.232 245 F CB -0.394 38.650 39.000 0.074 0.000 0.987 245 F HN 0.314 nan 8.300 nan 0.000 0.475 246 S N -0.676 115.377 115.700 0.587 0.000 2.383 246 S HA -0.280 4.189 4.470 -0.001 0.000 0.229 246 S C 1.943 176.785 174.600 0.403 0.000 1.030 246 S CA 1.502 60.005 58.200 0.504 0.000 1.002 246 S CB -1.373 62.122 63.200 0.492 0.000 0.829 246 S HN 0.491 nan 8.310 nan 0.000 0.467 247 Y N 0.180 120.599 120.300 0.198 0.000 2.243 247 Y HA 0.146 4.696 4.550 -0.001 0.000 0.293 247 Y C 2.352 178.304 175.900 0.088 0.000 1.124 247 Y CA 0.342 58.556 58.100 0.190 0.000 1.159 247 Y CB -0.974 37.538 38.460 0.087 0.000 1.008 247 Y HN 0.398 nan 8.280 nan 0.000 0.527 248 Y N -1.395 118.910 120.300 0.009 0.000 2.497 248 Y HA -0.170 4.380 4.550 -0.001 0.000 0.292 248 Y C 1.139 176.697 175.900 -0.569 0.000 1.137 248 Y CA 1.444 59.361 58.100 -0.305 0.000 1.285 248 Y CB -0.286 37.839 38.460 -0.559 0.000 0.991 248 Y HN 0.069 nan 8.280 nan 0.000 0.556 249 F N -1.028 118.873 119.950 -0.082 0.000 2.740 249 F HA 0.403 4.930 4.527 -0.001 0.000 0.304 249 F C 1.544 177.253 175.800 -0.152 0.000 1.098 249 F CA -0.041 57.853 58.000 -0.176 0.000 1.258 249 F CB -0.413 38.363 39.000 -0.374 0.000 1.061 249 F HN -0.099 nan 8.300 nan 0.000 0.598 250 A N 2.793 125.631 122.820 0.030 0.000 2.609 250 A HA -0.047 4.273 4.320 -0.001 0.000 0.232 250 A C -1.141 176.325 177.584 -0.197 0.000 1.041 250 A CA -0.552 51.401 52.037 -0.139 0.000 0.753 250 A CB -0.460 18.286 19.000 -0.423 0.000 0.966 250 A HN 0.151 nan 8.150 nan 0.000 0.510 251 P HA -0.181 nan 4.420 nan 0.000 0.218 251 P C 0.453 177.632 177.300 -0.202 0.000 1.149 251 P CA 1.777 64.785 63.100 -0.154 0.000 0.817 251 P CB 0.073 31.700 31.700 -0.122 0.000 0.785 252 D N 0.552 120.753 120.400 -0.332 0.000 2.454 252 D HA -0.105 4.535 4.640 -0.001 0.000 0.247 252 D C 0.590 176.716 176.300 -0.289 0.000 1.143 252 D CA 0.523 54.337 54.000 -0.310 0.000 0.972 252 D CB -1.779 38.827 40.800 -0.325 0.000 1.070 252 D HN 0.272 nan 8.370 nan 0.000 0.433 253 H N 0.789 119.730 119.070 -0.215 0.000 3.157 253 H HA 0.388 4.944 4.556 -0.001 0.000 0.260 253 H C 1.143 176.334 175.328 -0.229 0.000 1.232 253 H CA -0.501 55.401 56.048 -0.244 0.000 1.488 253 H CB 0.450 29.991 29.762 -0.369 0.000 1.548 253 H HN 0.100 nan 8.280 nan 0.000 0.487 254 R N 1.835 122.309 120.500 -0.044 0.000 2.195 254 R HA 0.042 4.381 4.340 -0.001 0.000 0.197 254 R C 0.391 176.681 176.300 -0.016 0.000 0.990 254 R CA 0.692 56.745 56.100 -0.078 0.000 1.048 254 R CB -1.077 29.125 30.300 -0.164 0.000 0.997 254 R HN 0.497 nan 8.270 nan 0.000 0.502 255 T N 1.454 115.996 114.554 -0.021 0.000 3.054 255 T HA 0.111 4.461 4.350 -0.001 0.000 0.259 255 T C 1.899 176.623 174.700 0.039 0.000 1.092 255 T CA 0.628 62.706 62.100 -0.036 0.000 1.121 255 T CB -0.006 68.822 68.868 -0.067 0.000 0.912 255 T HN -0.074 nan 8.240 nan 0.000 0.489 256 V N 1.911 121.870 119.914 0.074 0.000 2.527 256 V HA -0.169 3.950 4.120 -0.001 0.000 0.255 256 V C 2.249 178.420 176.094 0.129 0.000 1.081 256 V CA 1.448 63.795 62.300 0.079 0.000 1.092 256 V CB -0.698 31.163 31.823 0.064 0.000 0.673 256 V HN 0.376 nan 8.190 nan 0.000 0.470 257 L N 0.092 121.443 121.223 0.213 0.000 2.084 257 L HA 0.011 4.350 4.340 -0.001 0.000 0.202 257 L C 2.419 179.404 176.870 0.192 0.000 1.074 257 L CA 2.070 57.044 54.840 0.224 0.000 0.757 257 L CB -0.693 41.559 42.059 0.322 0.000 0.918 257 L HN 0.321 nan 8.230 nan 0.000 0.444 258 E N -0.647 119.617 120.200 0.107 0.000 2.209 258 E HA -0.254 4.095 4.350 -0.001 0.000 0.196 258 E C 2.072 178.615 176.600 -0.094 0.000 0.993 258 E CA 1.361 57.656 56.400 -0.175 0.000 0.819 258 E CB -0.067 29.238 29.700 -0.658 0.000 0.745 258 E HN 0.456 nan 8.360 nan 0.000 0.477 259 L N -0.351 120.885 121.223 0.022 0.000 1.993 259 L HA -0.106 4.234 4.340 -0.001 0.000 0.206 259 L C 1.871 178.829 176.870 0.147 0.000 1.074 259 L CA 1.671 56.559 54.840 0.079 0.000 0.746 259 L CB -0.710 41.447 42.059 0.164 0.000 0.896 259 L HN 0.146 nan 8.230 nan 0.000 0.435 260 Y N -0.208 120.090 120.300 -0.003 0.000 2.134 260 Y HA 0.264 4.814 4.550 -0.001 0.000 0.283 260 Y C 1.450 177.357 175.900 0.012 0.000 1.108 260 Y CA 0.441 58.540 58.100 -0.001 0.000 1.096 260 Y CB -0.980 37.480 38.460 0.000 0.000 1.005 260 Y HN 0.145 nan 8.280 nan 0.000 0.487 261 A N 1.951 124.909 122.820 0.231 0.000 2.354 261 A HA 0.262 4.582 4.320 -0.001 0.000 0.281 261 A C -1.790 175.888 177.584 0.155 0.000 1.174 261 A CA -1.109 51.026 52.037 0.163 0.000 0.828 261 A CB -0.080 19.007 19.000 0.145 0.000 1.099 261 A HN 0.238 nan 8.150 nan 0.000 0.516 262 P HA 0.008 nan 4.420 nan 0.000 0.245 262 P C 0.201 177.604 177.300 0.171 0.000 1.203 262 P CA 0.614 63.783 63.100 0.116 0.000 0.792 262 P CB 0.715 32.452 31.700 0.061 0.000 0.997 263 D N -0.893 119.606 120.400 0.165 0.000 2.652 263 D HA 0.069 4.709 4.640 -0.001 0.000 0.261 263 D C 1.976 178.393 176.300 0.195 0.000 1.024 263 D CA 0.493 54.587 54.000 0.157 0.000 0.958 263 D CB -0.062 40.795 40.800 0.095 0.000 1.113 263 D HN -0.202 nan 8.370 nan 0.000 0.471 264 M N 0.678 120.386 119.600 0.179 0.000 2.252 264 M HA -0.199 4.281 4.480 -0.001 0.000 0.257 264 M C 2.076 178.515 176.300 0.231 0.000 1.077 264 M CA 0.958 56.386 55.300 0.214 0.000 1.066 264 M CB -1.028 31.675 32.600 0.172 0.000 1.380 264 M HN 0.107 nan 8.290 nan 0.000 0.412 265 F N 1.166 121.202 119.950 0.144 0.000 2.060 265 F HA -0.172 4.354 4.527 -0.001 0.000 0.295 265 F C 2.106 177.984 175.800 0.130 0.000 1.120 265 F CA 1.774 59.878 58.000 0.173 0.000 1.205 265 F CB -0.402 38.688 39.000 0.150 0.000 0.986 265 F HN 0.064 nan 8.300 nan 0.000 0.470 266 E N -1.142 119.174 120.200 0.194 0.000 2.510 266 E HA -0.182 4.168 4.350 -0.001 0.000 0.202 266 E C 1.301 177.892 176.600 -0.014 0.000 1.072 266 E CA 0.774 57.211 56.400 0.062 0.000 0.883 266 E CB -0.433 29.388 29.700 0.201 0.000 0.818 266 E HN 0.653 nan 8.360 nan 0.000 0.548 267 Y N -0.554 119.639 120.300 -0.179 0.000 2.259 267 Y HA 0.033 4.582 4.550 -0.001 0.000 0.285 267 Y C 1.757 177.441 175.900 -0.361 0.000 1.130 267 Y CA 0.945 58.940 58.100 -0.175 0.000 1.144 267 Y CB -0.353 38.073 38.460 -0.057 0.000 1.093 267 Y HN -0.032 nan 8.280 nan 0.000 0.507 268 M N 1.184 120.460 119.600 -0.539 0.000 2.144 268 M HA -0.283 4.197 4.480 -0.001 0.000 0.260 268 M C 1.991 177.512 176.300 -1.297 0.000 1.067 268 M CA 1.576 56.291 55.300 -0.974 0.000 1.095 268 M CB -1.491 30.484 32.600 -1.042 0.000 1.365 268 M HN 0.482 nan 8.290 nan 0.000 0.406 269 N N 0.810 118.806 118.700 -1.174 0.000 2.084 269 N HA -0.204 4.536 4.740 -0.001 0.000 0.190 269 N C 1.657 176.847 175.510 -0.533 0.000 1.030 269 N CA 1.586 54.109 53.050 -0.879 0.000 0.849 269 N CB -0.030 38.019 38.487 -0.729 0.000 1.012 269 N HN 0.276 nan 8.380 nan 0.000 0.423 270 K N 0.905 121.053 120.400 -0.419 0.000 2.147 270 K HA 0.026 4.346 4.320 -0.001 0.000 0.205 270 K C 2.228 178.588 176.600 -0.400 0.000 1.049 270 K CA 0.634 56.751 56.287 -0.282 0.000 0.936 270 K CB -0.167 32.244 32.500 -0.150 0.000 0.722 270 K HN 0.188 nan 8.250 nan 0.000 0.446 271 L N 0.371 121.191 121.223 -0.672 0.000 2.042 271 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 271 L C 2.517 178.840 176.870 -0.911 0.000 1.076 271 L CA 1.772 56.009 54.840 -1.005 0.000 0.749 271 L CB -0.459 40.614 42.059 -1.644 0.000 0.893 271 L HN 0.397 nan 8.230 nan 0.000 0.432 272 E N 0.326 120.125 120.200 -0.669 0.000 2.285 272 E HA -0.166 4.184 4.350 -0.001 0.000 0.194 272 E C 2.061 178.588 176.600 -0.120 0.000 0.997 272 E CA 0.447 56.705 56.400 -0.237 0.000 0.845 272 E CB 0.250 29.887 29.700 -0.105 0.000 0.782 272 E HN 0.372 nan 8.360 nan 0.000 0.491 273 K N -0.927 119.366 120.400 -0.177 0.000 2.032 273 K HA -0.115 4.205 4.320 -0.001 0.000 0.209 273 K C 1.532 178.103 176.600 -0.048 0.000 1.048 273 K CA 1.401 57.634 56.287 -0.091 0.000 0.927 273 K CB 0.041 32.481 32.500 -0.100 0.000 0.712 273 K HN 0.265 nan 8.250 nan 0.000 0.441 274 G N -1.699 107.060 108.800 -0.067 0.000 4.562 274 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.196 274 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.196 274 G C 1.017 175.914 174.900 -0.004 0.000 0.697 274 G CA 0.166 45.261 45.100 -0.008 0.000 0.775 274 G HN 0.320 nan 8.290 nan 0.000 0.511 275 G N 0.806 109.548 108.800 -0.097 0.000 2.485 275 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.221 275 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.221 275 G C 1.389 176.343 174.900 0.090 0.000 1.115 275 G CA 1.070 46.116 45.100 -0.090 0.000 0.751 275 G HN 0.452 nan 8.290 nan 0.000 0.567 276 F N -0.313 119.647 119.950 0.018 0.000 2.664 276 F HA 0.174 4.701 4.527 -0.001 0.000 0.296 276 F C 2.529 178.351 175.800 0.036 0.000 1.125 276 F CA 0.427 58.455 58.000 0.048 0.000 1.444 276 F CB 0.367 39.414 39.000 0.078 0.000 1.114 276 F HN 0.228 nan 8.300 nan 0.000 0.576 277 E N 0.810 121.132 120.200 0.203 0.000 2.299 277 E HA -0.096 4.254 4.350 -0.001 0.000 0.193 277 E C 1.741 178.394 176.600 0.088 0.000 0.998 277 E CA 0.275 56.746 56.400 0.118 0.000 0.851 277 E CB 0.292 30.041 29.700 0.081 0.000 0.795 277 E HN 0.326 nan 8.360 nan 0.000 0.492 278 K N 0.892 121.347 120.400 0.092 0.000 1.974 278 K HA -0.176 4.144 4.320 -0.001 0.000 0.226 278 K C 2.024 178.661 176.600 0.062 0.000 1.039 278 K CA 1.820 58.146 56.287 0.066 0.000 1.022 278 K CB -0.355 32.184 32.500 0.065 0.000 0.746 278 K HN 0.161 nan 8.250 nan 0.000 0.445 279 I N 1.047 121.665 120.570 0.079 0.000 2.399 279 I HA -0.227 3.942 4.170 -0.001 0.000 0.254 279 I C 2.282 178.422 176.117 0.040 0.000 1.146 279 I CA 1.344 62.677 61.300 0.055 0.000 1.412 279 I CB -1.635 36.404 38.000 0.065 0.000 1.076 279 I HN 0.187 nan 8.210 nan 0.000 0.432 280 S N 0.047 115.781 115.700 0.056 0.000 2.595 280 S HA -0.083 4.386 4.470 -0.001 0.000 0.235 280 S C 1.578 176.192 174.600 0.023 0.000 0.974 280 S CA 0.867 59.088 58.200 0.036 0.000 0.942 280 S CB -0.050 63.181 63.200 0.052 0.000 0.766 280 S HN 0.441 nan 8.310 nan 0.000 0.536 281 E N -0.051 120.164 120.200 0.024 0.000 2.474 281 E HA 0.130 4.480 4.350 -0.001 0.000 0.215 281 E C 1.848 178.452 176.600 0.006 0.000 0.867 281 E CA 0.744 57.152 56.400 0.014 0.000 1.135 281 E CB 0.106 29.817 29.700 0.018 0.000 1.147 281 E HN 0.590 nan 8.360 nan 0.000 0.534 282 S N 0.165 115.870 115.700 0.009 0.000 2.522 282 S HA 0.013 4.482 4.470 -0.001 0.000 0.227 282 S C 1.767 176.363 174.600 -0.007 0.000 0.986 282 S CA 0.387 58.588 58.200 0.001 0.000 0.929 282 S CB 0.081 63.284 63.200 0.006 0.000 0.769 282 S HN -0.005 nan 8.310 nan 0.000 0.529 283 L N 0.973 122.192 121.223 -0.007 0.000 2.286 283 L HA 0.416 4.755 4.340 -0.001 0.000 0.203 283 L C 2.442 179.299 176.870 -0.021 0.000 1.068 283 L CA 1.061 55.890 54.840 -0.018 0.000 0.811 283 L CB -0.715 41.331 42.059 -0.022 0.000 0.989 283 L HN 0.183 nan 8.230 nan 0.000 0.467 284 K N 1.121 121.512 120.400 -0.015 0.000 2.009 284 K HA -0.225 4.095 4.320 -0.001 0.000 0.210 284 K C 2.049 178.637 176.600 -0.020 0.000 1.049 284 K CA 1.964 58.241 56.287 -0.017 0.000 0.929 284 K CB -0.155 32.339 32.500 -0.009 0.000 0.714 284 K HN 0.370 nan 8.250 nan 0.000 0.440 285 K N 0.015 120.405 120.400 -0.016 0.000 2.026 285 K HA -0.210 4.110 4.320 -0.001 0.000 0.208 285 K C 2.143 178.729 176.600 -0.023 0.000 1.048 285 K CA 1.825 58.102 56.287 -0.018 0.000 0.929 285 K CB -0.418 32.074 32.500 -0.014 0.000 0.713 285 K HN 0.248 nan 8.250 nan 0.000 0.439 286 E N 1.281 121.468 120.200 -0.023 0.000 2.209 286 E HA -0.142 4.208 4.350 -0.001 0.000 0.196 286 E C 2.039 178.620 176.600 -0.032 0.000 0.993 286 E CA 1.436 57.820 56.400 -0.026 0.000 0.819 286 E CB -0.463 29.221 29.700 -0.027 0.000 0.745 286 E HN 0.510 nan 8.360 nan 0.000 0.477 287 G N 0.461 109.242 108.800 -0.033 0.000 2.469 287 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.219 287 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.219 287 G C 1.550 176.425 174.900 -0.041 0.000 1.150 287 G CA 1.787 46.865 45.100 -0.038 0.000 0.763 287 G HN 0.314 nan 8.290 nan 0.000 0.561 288 V N -1.381 118.509 119.914 -0.039 0.000 2.284 288 V HA 0.074 4.193 4.120 -0.001 0.000 0.236 288 V C 2.209 178.277 176.094 -0.044 0.000 1.044 288 V CA 1.791 64.063 62.300 -0.045 0.000 1.019 288 V CB -1.295 30.500 31.823 -0.046 0.000 0.657 288 V HN 0.353 nan 8.190 nan 0.000 0.465 289 E N 0.625 120.803 120.200 -0.037 0.000 2.339 289 E HA -0.267 4.083 4.350 -0.001 0.000 0.201 289 E C 1.966 178.547 176.600 -0.031 0.000 1.015 289 E CA 1.653 58.034 56.400 -0.032 0.000 0.841 289 E CB -0.169 29.515 29.700 -0.026 0.000 0.754 289 E HN 0.710 nan 8.360 nan 0.000 0.508 290 K N 1.154 121.534 120.400 -0.034 0.000 1.995 290 K HA -0.109 4.210 4.320 -0.001 0.000 0.217 290 K C 0.645 177.224 176.600 -0.035 0.000 1.030 290 K CA 0.888 57.156 56.287 -0.033 0.000 0.971 290 K CB -0.022 32.456 32.500 -0.036 0.000 0.775 290 K HN -0.122 nan 8.250 nan 0.000 0.446 291 D N 1.135 121.511 120.400 -0.040 0.000 2.346 291 D HA 0.108 4.748 4.640 -0.001 0.000 0.260 291 D C -0.449 175.823 176.300 -0.046 0.000 1.252 291 D CA 0.330 54.305 54.000 -0.042 0.000 0.895 291 D CB 0.454 41.227 40.800 -0.045 0.000 1.097 291 D HN 0.180 nan 8.370 nan 0.000 0.489 292 R N 2.188 122.662 120.500 -0.043 0.000 2.844 292 R HA 0.403 4.742 4.340 -0.001 0.000 0.264 292 R C -0.754 175.520 176.300 -0.043 0.000 1.077 292 R CA -0.761 55.310 56.100 -0.049 0.000 0.953 292 R CB 0.533 30.808 30.300 -0.042 0.000 1.272 292 R HN 0.454 nan 8.270 nan 0.000 0.447 293 I N 0.626 121.171 120.570 -0.042 0.000 2.294 293 I HA 0.205 4.375 4.170 -0.001 0.000 0.295 293 I C 0.109 176.233 176.117 0.012 0.000 1.098 293 I CA -0.420 60.868 61.300 -0.019 0.000 1.277 293 I CB 0.180 38.168 38.000 -0.021 0.000 1.434 293 I HN 0.213 nan 8.210 nan 0.000 0.498 294 D N 7.198 127.599 120.400 0.001 0.000 2.426 294 D HA 0.112 4.751 4.640 -0.001 0.000 0.271 294 D C 0.370 176.679 176.300 0.016 0.000 1.376 294 D CA 0.113 54.117 54.000 0.006 0.000 1.149 294 D CB 0.451 41.250 40.800 -0.002 0.000 1.118 294 D HN 0.515 nan 8.370 nan 0.000 0.529 295 V N 1.162 121.093 119.914 0.028 0.000 5.548 295 V HA 0.597 4.716 4.120 -0.001 0.000 0.276 295 V C 0.441 176.546 176.094 0.017 0.000 1.512 295 V CA -0.614 61.698 62.300 0.020 0.000 0.718 295 V CB 0.694 32.539 31.823 0.036 0.000 1.393 295 V HN 0.327 nan 8.190 nan 0.000 0.415 296 L N -2.095 119.138 121.223 0.017 0.000 2.399 296 L HA 0.528 4.868 4.340 -0.001 0.000 0.266 296 L C -0.337 176.553 176.870 0.032 0.000 1.516 296 L CA -0.686 54.169 54.840 0.025 0.000 0.715 296 L CB -0.107 41.973 42.059 0.034 0.000 0.933 296 L HN 0.495 nan 8.230 nan 0.000 0.524 297 K N 1.392 121.805 120.400 0.022 0.000 2.494 297 K HA 0.514 4.833 4.320 -0.001 0.000 0.273 297 K C 0.949 177.553 176.600 0.008 0.000 0.970 297 K CA 1.000 57.297 56.287 0.018 0.000 0.963 297 K CB 0.277 32.783 32.500 0.009 0.000 0.913 297 K HN 0.673 nan 8.250 nan 0.000 0.502 298 G N 0.929 109.719 108.800 -0.017 0.000 2.712 298 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.683 298 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.683 298 G C 0.266 175.163 174.900 -0.003 0.000 1.320 298 G CA -0.188 44.864 45.100 -0.080 0.000 0.847 298 G HN 0.768 nan 8.290 nan 0.000 0.553 299 E N -0.273 119.899 120.200 -0.046 0.000 2.492 299 E HA -0.117 4.232 4.350 -0.001 0.000 0.204 299 E C 2.056 178.695 176.600 0.064 0.000 1.073 299 E CA 1.177 57.594 56.400 0.029 0.000 0.887 299 E CB -0.186 29.506 29.700 -0.013 0.000 0.813 299 E HN 0.481 nan 8.360 nan 0.000 0.562 300 K N -1.086 119.349 120.400 0.060 0.000 2.365 300 K HA 0.002 4.322 4.320 -0.001 0.000 0.197 300 K C 1.606 178.260 176.600 0.090 0.000 1.042 300 K CA 0.686 57.007 56.287 0.057 0.000 0.987 300 K CB 0.356 32.878 32.500 0.037 0.000 0.779 300 K HN 0.057 nan 8.250 nan 0.000 0.484 301 A N 0.685 123.597 122.820 0.153 0.000 1.963 301 A HA 0.018 4.338 4.320 -0.001 0.000 0.207 301 A C 1.673 179.417 177.584 0.268 0.000 1.243 301 A CA -0.018 52.146 52.037 0.211 0.000 0.728 301 A CB -0.242 18.906 19.000 0.246 0.000 0.895 301 A HN 0.196 nan 8.150 nan 0.000 0.467 302 L N -0.403 121.049 121.223 0.382 0.000 2.671 302 L HA -0.113 4.226 4.340 -0.001 0.000 0.236 302 L C 1.609 178.501 176.870 0.036 0.000 1.178 302 L CA 1.594 56.594 54.840 0.268 0.000 0.829 302 L CB -0.280 42.076 42.059 0.495 0.000 0.956 302 L HN 0.133 nan 8.230 nan 0.000 0.455 303 K N -1.071 119.364 120.400 0.058 0.000 2.308 303 K HA 0.286 4.605 4.320 -0.001 0.000 0.197 303 K C 1.633 178.231 176.600 -0.003 0.000 1.049 303 K CA 0.904 57.200 56.287 0.016 0.000 0.991 303 K CB 0.357 32.877 32.500 0.032 0.000 0.836 303 K HN 0.399 nan 8.250 nan 0.000 0.500 304 A N 0.149 122.977 122.820 0.013 0.000 2.348 304 A HA 0.054 4.373 4.320 -0.001 0.000 0.224 304 A C 1.849 179.411 177.584 -0.037 0.000 1.227 304 A CA 0.442 52.486 52.037 0.011 0.000 0.885 304 A CB 0.054 19.083 19.000 0.048 0.000 0.933 304 A HN 0.143 nan 8.150 nan 0.000 0.506 305 S N -0.715 114.898 115.700 -0.144 0.000 2.447 305 S HA 0.171 4.640 4.470 -0.001 0.000 0.233 305 S C 1.834 176.202 174.600 -0.386 0.000 1.006 305 S CA 1.731 59.651 58.200 -0.467 0.000 0.957 305 S CB -0.397 62.060 63.200 -1.237 0.000 0.773 305 S HN 1.674 nan 8.310 nan 0.000 0.507 306 G N 0.498 109.169 108.800 -0.215 0.000 2.451 306 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.253 306 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.253 306 G C 0.182 174.999 174.900 -0.139 0.000 1.033 306 G CA 0.846 45.875 45.100 -0.119 0.000 0.633 306 G HN 0.528 nan 8.290 nan 0.000 0.537 307 L N 0.156 121.164 121.223 -0.358 0.000 2.473 307 L HA 0.365 4.704 4.340 -0.001 0.000 0.280 307 L C 1.160 177.947 176.870 -0.138 0.000 1.266 307 L CA 0.425 55.042 54.840 -0.372 0.000 0.824 307 L CB 0.341 41.916 42.059 -0.807 0.000 1.091 307 L HN 0.066 nan 8.230 nan 0.000 0.534 308 V N 3.053 122.976 119.914 0.014 0.000 2.333 308 V HA 0.180 4.300 4.120 -0.001 0.000 0.274 308 V C -1.446 174.535 176.094 -0.189 0.000 1.028 308 V CA -1.164 61.088 62.300 -0.081 0.000 0.851 308 V CB 1.203 32.934 31.823 -0.152 0.000 1.000 308 V HN 0.677 nan 8.190 nan 0.000 0.456 309 P HA -0.277 nan 4.420 nan 0.000 0.226 309 P C 1.403 178.651 177.300 -0.087 0.000 1.154 309 P CA 1.807 64.873 63.100 -0.057 0.000 0.918 309 P CB 0.283 31.967 31.700 -0.027 0.000 0.790 310 E N -2.318 117.767 120.200 -0.191 0.000 2.153 310 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 310 E C 1.917 178.411 176.600 -0.177 0.000 0.988 310 E CA 1.003 57.297 56.400 -0.176 0.000 0.811 310 E CB -0.523 29.043 29.700 -0.222 0.000 0.746 310 E HN 0.578 nan 8.360 nan 0.000 0.466 311 H N 0.262 119.180 119.070 -0.253 0.000 2.294 311 H HA 0.039 4.594 4.556 -0.001 0.000 0.306 311 H C 2.317 177.165 175.328 -0.800 0.000 1.065 311 H CA 0.617 56.329 56.048 -0.559 0.000 1.343 311 H CB -0.016 29.460 29.762 -0.477 0.000 1.396 311 H HN 0.165 nan 8.280 nan 0.000 0.506 312 A N 1.250 123.835 122.820 -0.393 0.000 1.873 312 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 312 A C 1.965 179.509 177.584 -0.067 0.000 1.193 312 A CA 2.173 54.021 52.037 -0.314 0.000 0.629 312 A CB -0.621 18.115 19.000 -0.441 0.000 0.826 312 A HN 0.420 nan 8.150 nan 0.000 0.447 313 D N -0.397 120.068 120.400 0.109 0.000 2.221 313 D HA -0.074 4.566 4.640 -0.001 0.000 0.204 313 D C 2.174 178.531 176.300 0.096 0.000 0.982 313 D CA 1.280 55.418 54.000 0.229 0.000 0.857 313 D CB -0.104 40.786 40.800 0.150 0.000 0.934 313 D HN 0.464 nan 8.370 nan 0.000 0.475 314 A N 0.347 123.142 122.820 -0.042 0.000 1.872 314 A HA -0.101 4.218 4.320 -0.001 0.000 0.214 314 A C 2.078 179.694 177.584 0.054 0.000 1.187 314 A CA 0.702 52.709 52.037 -0.051 0.000 0.614 314 A CB -1.055 17.842 19.000 -0.173 0.000 0.826 314 A HN 0.202 nan 8.150 nan 0.000 0.442 315 F N 0.055 120.033 119.950 0.046 0.000 2.202 315 F HA -0.191 4.335 4.527 -0.001 0.000 0.301 315 F C 2.370 178.208 175.800 0.063 0.000 1.082 315 F CA 1.271 59.296 58.000 0.042 0.000 1.313 315 F CB -0.088 38.897 39.000 -0.024 0.000 1.024 315 F HN 0.169 nan 8.300 nan 0.000 0.495 316 K N 0.911 121.466 120.400 0.258 0.000 2.127 316 K HA -0.275 4.044 4.320 -0.001 0.000 0.208 316 K C 2.170 178.867 176.600 0.160 0.000 1.047 316 K CA 1.465 57.886 56.287 0.223 0.000 0.927 316 K CB -0.173 32.487 32.500 0.266 0.000 0.716 316 K HN 0.155 nan 8.250 nan 0.000 0.450 317 K N 0.548 121.035 120.400 0.144 0.000 2.057 317 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 317 K C 1.950 178.616 176.600 0.110 0.000 1.050 317 K CA 1.234 57.588 56.287 0.111 0.000 0.935 317 K CB -0.026 32.534 32.500 0.099 0.000 0.715 317 K HN -0.008 nan 8.250 nan 0.000 0.439 318 I N 1.570 122.222 120.570 0.137 0.000 2.163 318 I HA -0.207 3.962 4.170 -0.001 0.000 0.240 318 I C 2.441 178.621 176.117 0.105 0.000 1.081 318 I CA 1.477 62.852 61.300 0.124 0.000 1.353 318 I CB -0.744 37.347 38.000 0.151 0.000 1.054 318 I HN 0.154 nan 8.210 nan 0.000 0.407 319 A N 0.211 123.097 122.820 0.110 0.000 2.042 319 A HA -0.265 4.054 4.320 -0.001 0.000 0.222 319 A C 2.442 180.060 177.584 0.057 0.000 1.167 319 A CA 1.940 54.023 52.037 0.076 0.000 0.649 319 A CB -0.621 18.409 19.000 0.049 0.000 0.809 319 A HN 0.396 nan 8.150 nan 0.000 0.457 320 R N -1.231 119.306 120.500 0.061 0.000 2.048 320 R HA -0.023 4.317 4.340 -0.001 0.000 0.224 320 R C 2.391 178.717 176.300 0.043 0.000 1.163 320 R CA 1.013 57.141 56.100 0.047 0.000 0.956 320 R CB -0.444 29.885 30.300 0.048 0.000 0.849 320 R HN 0.770 nan 8.270 nan 0.000 0.435 321 E N 1.044 121.274 120.200 0.050 0.000 2.065 321 E HA -0.178 4.171 4.350 -0.001 0.000 0.201 321 E C -0.151 176.467 176.600 0.031 0.000 1.016 321 E CA 1.097 57.522 56.400 0.041 0.000 0.818 321 E CB -0.011 29.719 29.700 0.050 0.000 0.749 321 E HN 0.103 nan 8.360 nan 0.000 0.453 322 L N 1.437 122.686 121.223 0.043 0.000 2.343 322 L HA 0.219 4.558 4.340 -0.001 0.000 0.275 322 L C 0.321 177.214 176.870 0.040 0.000 1.056 322 L CA -0.549 54.310 54.840 0.032 0.000 0.804 322 L CB 1.269 43.360 42.059 0.054 0.000 1.203 322 L HN 0.146 nan 8.230 nan 0.000 0.440 323 N N 1.553 120.266 118.700 0.022 0.000 2.621 323 N HA 0.275 5.015 4.740 -0.001 0.000 0.237 323 N C -1.196 174.400 175.510 0.144 0.000 0.997 323 N CA -0.198 52.890 53.050 0.063 0.000 0.918 323 N CB 1.159 39.661 38.487 0.025 0.000 1.122 323 N HN 0.750 nan 8.380 nan 0.000 0.510 324 T N 0.747 115.418 114.554 0.195 0.000 3.041 324 T HA 0.231 4.581 4.350 -0.001 0.000 0.321 324 T C -1.065 173.784 174.700 0.248 0.000 1.184 324 T CA -0.571 61.710 62.100 0.302 0.000 1.050 324 T CB 0.524 69.506 68.868 0.190 0.000 1.159 324 T HN 0.215 nan 8.240 nan 0.000 0.469 325 Y N 2.587 122.997 120.300 0.182 0.000 2.511 325 Y HA 0.467 5.017 4.550 -0.001 0.000 0.332 325 Y C 0.784 176.747 175.900 0.106 0.000 1.177 325 Y CA -0.510 57.642 58.100 0.087 0.000 1.422 325 Y CB 0.458 38.936 38.460 0.029 0.000 1.271 325 Y HN 0.541 nan 8.280 nan 0.000 0.550 326 I N 5.571 126.257 120.570 0.192 0.000 2.382 326 I HA 0.250 4.420 4.170 -0.001 0.000 0.286 326 I C -1.243 174.968 176.117 0.158 0.000 1.002 326 I CA -0.717 60.672 61.300 0.149 0.000 1.135 326 I CB 0.988 39.100 38.000 0.187 0.000 1.288 326 I HN 0.272 nan 8.210 nan 0.000 0.448 327 L N 6.935 128.177 121.223 0.032 0.000 2.322 327 L HA 0.553 4.893 4.340 -0.001 0.000 0.281 327 L C -0.707 176.092 176.870 -0.118 0.000 1.014 327 L CA -0.109 54.764 54.840 0.055 0.000 0.815 327 L CB 1.158 43.237 42.059 0.033 0.000 1.247 327 L HN 0.262 nan 8.230 nan 0.000 0.421 328 F N 1.542 121.543 119.950 0.085 0.000 2.522 328 F HA 0.638 5.165 4.527 -0.001 0.000 0.324 328 F C 0.805 176.679 175.800 0.124 0.000 1.077 328 F CA -0.796 57.256 58.000 0.086 0.000 0.944 328 F CB 1.430 40.424 39.000 -0.009 0.000 1.175 328 F HN 0.339 nan 8.300 nan 0.000 0.468 329 R N 1.158 121.821 120.500 0.272 0.000 2.519 329 R HA 0.439 4.778 4.340 -0.001 0.000 0.244 329 R C -2.472 173.948 176.300 0.200 0.000 1.241 329 R CA -1.589 54.664 56.100 0.254 0.000 1.120 329 R CB 0.155 30.604 30.300 0.249 0.000 1.333 329 R HN 0.258 nan 8.270 nan 0.000 0.587 330 P HA 0.134 nan 4.420 nan 0.000 0.293 330 P C -1.074 176.292 177.300 0.110 0.000 1.300 330 P CA -0.253 62.912 63.100 0.109 0.000 0.792 330 P CB 1.007 32.766 31.700 0.099 0.000 0.925 331 V N 3.923 123.889 119.914 0.087 0.000 2.339 331 V HA 0.139 4.259 4.120 -0.001 0.000 0.261 331 V C 0.877 177.014 176.094 0.071 0.000 1.058 331 V CA -0.903 61.469 62.300 0.121 0.000 0.897 331 V CB -0.100 31.835 31.823 0.187 0.000 1.052 331 V HN 0.620 nan 8.190 nan 0.000 0.480 332 N N 4.096 122.836 118.700 0.067 0.000 2.138 332 N HA -0.116 4.624 4.740 -0.001 0.000 0.271 332 N C 1.131 176.659 175.510 0.030 0.000 1.272 332 N CA 0.288 53.366 53.050 0.046 0.000 0.819 332 N CB 0.801 39.314 38.487 0.044 0.000 1.052 332 N HN 0.583 nan 8.380 nan 0.000 0.479 333 K N 3.583 123.996 120.400 0.022 0.000 2.074 333 K HA -0.140 4.180 4.320 -0.001 0.000 0.209 333 K C 1.708 178.312 176.600 0.006 0.000 1.048 333 K CA 1.074 57.368 56.287 0.011 0.000 0.926 333 K CB -0.229 32.278 32.500 0.012 0.000 0.713 333 K HN 0.406 nan 8.250 nan 0.000 0.444 334 L N 0.238 121.467 121.223 0.009 0.000 2.197 334 L HA -0.179 4.160 4.340 -0.001 0.000 0.215 334 L C 1.789 178.641 176.870 -0.029 0.000 1.095 334 L CA 1.903 56.742 54.840 -0.003 0.000 0.764 334 L CB -0.944 41.120 42.059 0.009 0.000 0.897 334 L HN 0.262 nan 8.230 nan 0.000 0.436 335 A N -2.860 119.941 122.820 -0.031 0.000 2.465 335 A HA 0.168 4.488 4.320 -0.001 0.000 0.255 335 A C 1.936 179.506 177.584 -0.022 0.000 1.274 335 A CA 0.420 52.419 52.037 -0.064 0.000 0.920 335 A CB -0.475 18.468 19.000 -0.093 0.000 1.033 335 A HN 0.316 nan 8.150 nan 0.000 0.516 336 T N 1.260 115.816 114.554 0.004 0.000 2.635 336 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 336 T C 1.772 176.484 174.700 0.020 0.000 1.040 336 T CA 1.881 63.998 62.100 0.028 0.000 1.156 336 T CB -0.290 68.581 68.868 0.006 0.000 0.863 336 T HN 0.552 nan 8.240 nan 0.000 0.430 337 N N 1.138 119.837 118.700 -0.001 0.000 2.270 337 N HA 0.090 4.829 4.740 -0.001 0.000 0.181 337 N C 1.957 177.469 175.510 0.003 0.000 1.016 337 N CA 0.572 53.620 53.050 -0.002 0.000 0.870 337 N CB -0.347 38.136 38.487 -0.008 0.000 0.979 337 N HN 0.347 nan 8.380 nan 0.000 0.431 338 L N 0.954 122.161 121.223 -0.026 0.000 2.187 338 L HA -0.132 4.207 4.340 -0.001 0.000 0.213 338 L C 2.087 178.959 176.870 0.003 0.000 1.100 338 L CA 0.879 55.684 54.840 -0.058 0.000 0.765 338 L CB -0.392 41.553 42.059 -0.191 0.000 0.904 338 L HN 0.132 nan 8.230 nan 0.000 0.437 339 I N -0.185 120.412 120.570 0.044 0.000 2.185 339 I HA -0.271 3.899 4.170 -0.001 0.000 0.235 339 I C 2.617 178.894 176.117 0.266 0.000 1.069 339 I CA 1.036 62.428 61.300 0.154 0.000 1.354 339 I CB -0.343 37.704 38.000 0.078 0.000 1.093 339 I HN 0.119 nan 8.210 nan 0.000 0.411 340 K N 0.774 121.274 120.400 0.166 0.000 2.144 340 K HA -0.276 4.044 4.320 -0.001 0.000 0.209 340 K C 2.107 178.766 176.600 0.098 0.000 1.047 340 K CA 1.987 58.335 56.287 0.102 0.000 0.927 340 K CB -0.222 32.263 32.500 -0.024 0.000 0.716 340 K HN 0.136 nan 8.250 nan 0.000 0.454 341 S N -1.161 114.577 115.700 0.064 0.000 2.595 341 S HA -0.010 4.460 4.470 -0.001 0.000 0.235 341 S C 1.044 175.647 174.600 0.004 0.000 0.974 341 S CA 1.119 59.334 58.200 0.025 0.000 0.942 341 S CB -0.484 62.727 63.200 0.019 0.000 0.766 341 S HN 0.665 nan 8.310 nan 0.000 0.536 342 G N -0.258 108.554 108.800 0.020 0.000 2.176 342 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.253 342 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.253 342 G C 0.116 174.922 174.900 -0.155 0.000 0.979 342 G CA 0.141 45.135 45.100 -0.176 0.000 0.641 342 G HN 0.585 nan 8.290 nan 0.000 0.530 343 V N 1.678 121.590 119.914 -0.003 0.000 2.585 343 V HA 0.512 4.631 4.120 -0.001 0.000 0.296 343 V C 1.331 177.461 176.094 0.060 0.000 1.035 343 V CA 0.222 62.524 62.300 0.004 0.000 1.084 343 V CB 0.767 32.573 31.823 -0.029 0.000 0.953 343 V HN 1.043 nan 8.190 nan 0.000 0.483 344 A N 4.832 127.670 122.820 0.030 0.000 2.325 344 A HA 0.614 4.934 4.320 -0.001 0.000 0.260 344 A C 0.621 178.227 177.584 0.037 0.000 1.133 344 A CA 0.196 52.281 52.037 0.082 0.000 0.801 344 A CB 0.170 19.186 19.000 0.026 0.000 1.092 344 A HN 0.995 nan 8.150 nan 0.000 0.504 345 T N -1.222 113.335 114.554 0.005 0.000 2.885 345 T HA 0.547 4.897 4.350 -0.001 0.000 0.285 345 T C -0.265 174.405 174.700 -0.050 0.000 1.019 345 T CA -0.835 61.231 62.100 -0.056 0.000 1.010 345 T CB 1.180 69.967 68.868 -0.135 0.000 1.022 345 T HN 0.834 nan 8.240 nan 0.000 0.466 346 K N 1.326 121.703 120.400 -0.037 0.000 2.436 346 K HA 0.461 4.781 4.320 -0.001 0.000 0.275 346 K C 0.553 177.134 176.600 -0.031 0.000 0.999 346 K CA -0.197 56.077 56.287 -0.021 0.000 0.980 346 K CB 0.005 32.511 32.500 0.009 0.000 0.919 346 K HN 0.804 nan 8.250 nan 0.000 0.484 347 G N 2.689 111.467 108.800 -0.038 0.000 3.341 347 G HA2 0.211 4.170 3.960 -0.001 0.000 0.177 347 G HA3 0.211 4.170 3.960 -0.001 0.000 0.177 347 G C 0.508 175.432 174.900 0.040 0.000 1.236 347 G CA -0.577 44.501 45.100 -0.037 0.000 0.888 347 G HN 0.551 nan 8.290 nan 0.000 0.644 348 L N 0.935 122.163 121.223 0.007 0.000 2.130 348 L HA 0.046 4.385 4.340 -0.001 0.000 0.200 348 L C 2.829 179.581 176.870 -0.197 0.000 1.075 348 L CA 1.072 55.924 54.840 0.020 0.000 0.768 348 L CB -0.570 41.505 42.059 0.027 0.000 0.933 348 L HN 0.584 nan 8.230 nan 0.000 0.451 349 N N 0.363 118.878 118.700 -0.308 0.000 2.111 349 N HA -0.165 4.574 4.740 -0.001 0.000 0.197 349 N C 0.606 175.836 175.510 -0.467 0.000 1.011 349 N CA 1.020 53.765 53.050 -0.508 0.000 0.880 349 N CB -0.758 37.428 38.487 -0.502 0.000 1.031 349 N HN 0.147 nan 8.380 nan 0.000 0.444 350 V N 0.486 120.211 119.914 -0.314 0.000 2.644 350 V HA 0.137 4.256 4.120 -0.001 0.000 0.295 350 V C 0.125 176.071 176.094 -0.246 0.000 1.053 350 V CA -0.323 61.826 62.300 -0.252 0.000 0.987 350 V CB 1.356 33.128 31.823 -0.086 0.000 1.006 350 V HN 0.296 nan 8.190 nan 0.000 0.472 351 H N 1.119 120.173 119.070 -0.027 0.000 3.052 351 H HA 0.327 4.883 4.556 -0.001 0.000 0.257 351 H C 1.069 176.373 175.328 -0.039 0.000 1.193 351 H CA -0.020 56.001 56.048 -0.045 0.000 1.072 351 H CB 0.953 30.674 29.762 -0.068 0.000 1.685 351 H HN 0.818 nan 8.280 nan 0.000 0.630 352 G N 1.086 109.922 108.800 0.060 0.000 2.664 352 G HA2 0.113 4.072 3.960 -0.001 0.000 0.242 352 G HA3 0.113 4.072 3.960 -0.001 0.000 0.242 352 G C -0.051 174.875 174.900 0.044 0.000 1.225 352 G CA -0.524 44.594 45.100 0.030 0.000 0.849 352 G HN 0.019 nan 8.290 nan 0.000 0.581 353 K N 0.460 120.887 120.400 0.044 0.000 2.143 353 K HA 0.360 4.680 4.320 -0.001 0.000 0.272 353 K C 0.680 177.327 176.600 0.079 0.000 1.001 353 K CA -0.442 55.881 56.287 0.059 0.000 0.915 353 K CB 1.679 34.217 32.500 0.063 0.000 1.047 353 K HN 0.429 nan 8.250 nan 0.000 0.458 354 S N 0.546 116.293 115.700 0.078 0.000 2.549 354 S HA 0.331 4.801 4.470 -0.001 0.000 0.260 354 S C -0.152 174.524 174.600 0.126 0.000 1.217 354 S CA -0.199 58.052 58.200 0.086 0.000 1.001 354 S CB 0.477 63.716 63.200 0.064 0.000 1.059 354 S HN 0.578 nan 8.310 nan 0.000 0.537 355 S N -0.464 115.316 115.700 0.134 0.000 2.565 355 S HA 0.434 4.904 4.470 -0.001 0.000 0.274 355 S C -2.577 172.139 174.600 0.192 0.000 1.144 355 S CA -0.568 57.763 58.200 0.218 0.000 0.849 355 S CB 1.142 64.486 63.200 0.240 0.000 1.103 355 S HN 0.770 nan 8.310 nan 0.000 0.455 356 D N 2.404 122.995 120.400 0.318 0.000 2.772 356 D HA 0.349 4.989 4.640 -0.001 0.000 0.326 356 D C -0.507 176.005 176.300 0.354 0.000 1.207 356 D CA -0.271 53.869 54.000 0.234 0.000 0.777 356 D CB -0.249 40.645 40.800 0.157 0.000 1.169 356 D HN 0.550 nan 8.370 nan 0.000 0.506 357 W N 0.055 121.341 121.300 -0.023 0.000 4.071 357 W HA 0.478 5.138 4.660 -0.001 0.000 0.274 357 W C -0.011 176.438 176.519 -0.116 0.000 1.278 357 W CA -0.871 56.446 57.345 -0.048 0.000 1.258 357 W CB 0.277 29.716 29.460 -0.035 0.000 1.236 357 W HN 0.617 nan 8.180 nan 0.000 0.530 358 G N 3.666 112.267 108.800 -0.332 0.000 2.725 358 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.220 358 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.220 358 G C -1.194 173.376 174.900 -0.549 0.000 1.357 358 G CA -0.115 44.596 45.100 -0.649 0.000 0.866 358 G HN 0.499 nan 8.290 nan 0.000 0.548 359 P HA -0.124 nan 4.420 nan 0.000 0.214 359 P C 2.021 179.138 177.300 -0.305 0.000 1.163 359 P CA 2.550 65.416 63.100 -0.390 0.000 0.883 359 P CB -0.181 31.283 31.700 -0.393 0.000 0.788 360 V N 0.131 119.802 119.914 -0.406 0.000 2.982 360 V HA -0.033 4.087 4.120 -0.001 0.000 0.265 360 V C 1.148 177.249 176.094 0.011 0.000 1.122 360 V CA 0.867 63.022 62.300 -0.243 0.000 1.143 360 V CB -1.816 29.834 31.823 -0.290 0.000 0.726 360 V HN 0.170 nan 8.190 nan 0.000 0.507 361 A N 0.240 122.995 122.820 -0.110 0.000 2.600 361 A HA 0.335 4.655 4.320 -0.001 0.000 0.244 361 A C 1.690 179.310 177.584 0.060 0.000 1.016 361 A CA 0.955 52.976 52.037 -0.027 0.000 0.778 361 A CB -1.129 17.836 19.000 -0.059 0.000 0.920 361 A HN 2.028 nan 8.150 nan 0.000 0.513 362 G N 0.929 109.736 108.800 0.012 0.000 2.176 362 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.253 362 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.253 362 G C -0.008 174.750 174.900 -0.236 0.000 0.979 362 G CA 0.738 45.775 45.100 -0.105 0.000 0.641 362 G HN 0.938 nan 8.290 nan 0.000 0.530 363 Y N -0.486 119.801 120.300 -0.022 0.000 2.602 363 Y HA 0.699 5.249 4.550 -0.001 0.000 0.330 363 Y C 0.838 176.741 175.900 0.005 0.000 1.114 363 Y CA -1.410 56.681 58.100 -0.015 0.000 1.182 363 Y CB 0.998 39.436 38.460 -0.038 0.000 1.305 363 Y HN -0.003 nan 8.280 nan 0.000 0.502 364 I N 4.223 124.899 120.570 0.176 0.000 2.318 364 I HA 0.174 4.343 4.170 -0.001 0.000 0.285 364 I C -2.528 173.666 176.117 0.129 0.000 1.127 364 I CA -2.765 58.605 61.300 0.118 0.000 1.243 364 I CB -0.640 37.409 38.000 0.082 0.000 1.498 364 I HN 0.216 nan 8.210 nan 0.000 0.535 365 P HA -0.144 nan 4.420 nan 0.000 0.258 365 P C 1.051 178.431 177.300 0.134 0.000 1.172 365 P CA 0.222 63.390 63.100 0.113 0.000 0.762 365 P CB 0.484 32.245 31.700 0.101 0.000 0.764 366 F N 3.947 123.924 119.950 0.044 0.000 2.184 366 F HA -0.217 4.309 4.527 -0.001 0.000 0.301 366 F C 0.726 176.585 175.800 0.097 0.000 1.076 366 F CA 1.317 59.351 58.000 0.057 0.000 1.295 366 F CB -0.214 38.805 39.000 0.032 0.000 1.026 366 F HN 0.244 nan 8.300 nan 0.000 0.494 367 D N -0.061 120.482 120.400 0.240 0.000 2.295 367 D HA 0.068 4.707 4.640 -0.001 0.000 0.248 367 D C 0.942 177.358 176.300 0.194 0.000 1.154 367 D CA -0.145 54.006 54.000 0.251 0.000 0.857 367 D CB 0.916 41.975 40.800 0.432 0.000 1.117 367 D HN 0.106 nan 8.370 nan 0.000 0.468 368 Q N 2.236 122.118 119.800 0.137 0.000 2.245 368 Q HA -0.098 4.242 4.340 -0.001 0.000 0.201 368 Q C 0.917 177.073 176.000 0.261 0.000 0.955 368 Q CA 0.779 56.672 55.803 0.150 0.000 0.870 368 Q CB 0.027 28.806 28.738 0.070 0.000 0.945 368 Q HN 0.654 nan 8.270 nan 0.000 0.461 369 D N 0.073 120.677 120.400 0.339 0.000 2.403 369 D HA -0.087 4.553 4.640 -0.001 0.000 0.227 369 D C 1.068 177.730 176.300 0.603 0.000 0.995 369 D CA 0.393 54.656 54.000 0.439 0.000 0.928 369 D CB 0.046 41.128 40.800 0.470 0.000 0.887 369 D HN 0.114 nan 8.370 nan 0.000 0.529 370 L N -0.106 121.468 121.223 0.585 0.000 2.700 370 L HA 0.230 4.569 4.340 -0.001 0.000 0.234 370 L C 0.003 177.219 176.870 0.577 0.000 1.156 370 L CA -0.220 55.013 54.840 0.654 0.000 0.946 370 L CB 0.110 42.420 42.059 0.418 0.000 1.216 370 L HN 0.049 nan 8.230 nan 0.000 0.493 371 S N -2.326 113.683 115.700 0.515 0.000 2.600 371 S HA 0.318 4.787 4.470 -0.001 0.000 0.300 371 S C 0.841 175.657 174.600 0.360 0.000 1.087 371 S CA -0.667 57.785 58.200 0.420 0.000 0.965 371 S CB 2.072 65.412 63.200 0.234 0.000 1.089 371 S HN 0.316 nan 8.310 nan 0.000 0.496 372 K N 1.078 121.645 120.400 0.279 0.000 2.113 372 K HA -0.285 4.034 4.320 -0.001 0.000 0.224 372 K C 0.277 176.906 176.600 0.049 0.000 0.975 372 K CA 1.853 58.211 56.287 0.119 0.000 0.973 372 K CB -1.030 31.527 32.500 0.096 0.000 0.867 372 K HN 0.428 nan 8.250 nan 0.000 0.470 373 K N 2.413 122.857 120.400 0.073 0.000 2.597 373 K HA -0.062 4.257 4.320 -0.001 0.000 0.228 373 K C -0.414 176.227 176.600 0.068 0.000 1.138 373 K CA 0.436 56.750 56.287 0.045 0.000 1.185 373 K CB -1.202 31.325 32.500 0.045 0.000 1.195 373 K HN 0.431 nan 8.250 nan 0.000 0.237 374 H N -0.100 118.901 119.070 -0.114 0.000 2.911 374 H HA 0.349 4.904 4.556 -0.001 0.000 0.273 374 H C 1.184 176.414 175.328 -0.164 0.000 1.157 374 H CA 0.860 56.805 56.048 -0.171 0.000 1.402 374 H CB 0.150 29.635 29.762 -0.462 0.000 1.463 374 H HN 0.613 nan 8.280 nan 0.000 0.475 375 G N 3.862 112.482 108.800 -0.301 0.000 2.796 375 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.198 375 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.198 375 G C 0.031 174.849 174.900 -0.138 0.000 1.062 375 G CA -0.388 44.533 45.100 -0.297 0.000 0.752 375 G HN 0.541 nan 8.290 nan 0.000 0.487 376 Q N 2.305 122.053 119.800 -0.086 0.000 2.426 376 Q HA 0.293 4.633 4.340 -0.001 0.000 0.253 376 Q C 1.594 177.579 176.000 -0.025 0.000 1.313 376 Q CA 0.376 56.152 55.803 -0.046 0.000 0.902 376 Q CB 0.802 29.524 28.738 -0.025 0.000 1.563 376 Q HN 0.529 nan 8.270 nan 0.000 0.517 377 Q N 1.800 121.582 119.800 -0.030 0.000 2.012 377 Q HA -0.247 4.092 4.340 -0.001 0.000 0.211 377 Q C 1.267 177.268 176.000 0.002 0.000 1.009 377 Q CA 1.852 57.648 55.803 -0.012 0.000 0.866 377 Q CB -0.024 28.704 28.738 -0.018 0.000 0.945 377 Q HN 0.681 nan 8.270 nan 0.000 0.414 378 L N 0.498 121.719 121.223 -0.003 0.000 2.141 378 L HA -0.079 4.261 4.340 -0.001 0.000 0.209 378 L C 2.360 179.232 176.870 0.003 0.000 1.094 378 L CA 1.863 56.703 54.840 0.001 0.000 0.763 378 L CB -0.835 41.223 42.059 -0.003 0.000 0.908 378 L HN 0.281 nan 8.230 nan 0.000 0.437 379 A N -1.385 121.436 122.820 0.002 0.000 1.873 379 A HA -0.133 4.186 4.320 -0.001 0.000 0.215 379 A C 2.222 179.815 177.584 0.015 0.000 1.186 379 A CA 1.952 53.992 52.037 0.004 0.000 0.616 379 A CB -0.883 18.119 19.000 0.004 0.000 0.823 379 A HN 0.228 nan 8.150 nan 0.000 0.442 380 V N -0.194 119.736 119.914 0.027 0.000 2.379 380 V HA -0.183 3.936 4.120 -0.001 0.000 0.245 380 V C 2.505 178.620 176.094 0.035 0.000 1.044 380 V CA 2.187 64.515 62.300 0.047 0.000 1.036 380 V CB -0.774 31.095 31.823 0.077 0.000 0.664 380 V HN 0.648 nan 8.190 nan 0.000 0.453 381 E N 0.675 120.893 120.200 0.030 0.000 2.118 381 E HA -0.236 4.114 4.350 -0.001 0.000 0.195 381 E C 2.214 178.823 176.600 0.015 0.000 0.992 381 E CA 1.617 58.033 56.400 0.027 0.000 0.804 381 E CB -0.174 29.539 29.700 0.022 0.000 0.741 381 E HN 0.523 nan 8.360 nan 0.000 0.458 382 K N -1.332 119.072 120.400 0.008 0.000 2.262 382 K HA 0.045 4.365 4.320 -0.001 0.000 0.200 382 K C 1.988 178.584 176.600 -0.007 0.000 1.049 382 K CA 0.668 56.955 56.287 0.001 0.000 0.979 382 K CB -0.110 32.388 32.500 -0.003 0.000 0.773 382 K HN 0.224 nan 8.250 nan 0.000 0.474 383 G N 1.829 110.626 108.800 -0.004 0.000 2.514 383 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.217 383 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.217 383 G C 1.235 176.105 174.900 -0.050 0.000 1.198 383 G CA 1.014 46.106 45.100 -0.012 0.000 0.780 383 G HN 0.279 nan 8.290 nan 0.000 0.565 384 N N 0.701 119.361 118.700 -0.067 0.000 2.043 384 N HA -0.100 4.639 4.740 -0.001 0.000 0.193 384 N C 2.105 177.545 175.510 -0.118 0.000 1.037 384 N CA 0.806 53.758 53.050 -0.163 0.000 0.851 384 N CB -0.693 37.730 38.487 -0.106 0.000 1.027 384 N HN 0.062 nan 8.380 nan 0.000 0.422 385 L N 1.498 122.697 121.223 -0.041 0.000 2.230 385 L HA -0.199 4.140 4.340 -0.001 0.000 0.217 385 L C 2.048 178.915 176.870 -0.005 0.000 1.090 385 L CA 1.656 56.491 54.840 -0.009 0.000 0.771 385 L CB -0.976 41.087 42.059 0.006 0.000 0.892 385 L HN 0.219 nan 8.230 nan 0.000 0.438 386 E N -0.690 119.501 120.200 -0.015 0.000 2.190 386 E HA -0.055 4.294 4.350 -0.001 0.000 0.191 386 E C 1.861 178.459 176.600 -0.003 0.000 0.978 386 E CA 0.753 57.163 56.400 0.016 0.000 0.839 386 E CB 0.099 29.825 29.700 0.043 0.000 0.787 386 E HN 0.572 nan 8.360 nan 0.000 0.473 387 N N 0.135 118.797 118.700 -0.065 0.000 2.135 387 N HA -0.100 4.639 4.740 -0.001 0.000 0.186 387 N C 1.561 177.083 175.510 0.020 0.000 1.027 387 N CA 0.870 53.884 53.050 -0.060 0.000 0.849 387 N CB -0.020 38.345 38.487 -0.203 0.000 1.002 387 N HN 0.012 nan 8.380 nan 0.000 0.425 388 K N 1.486 121.895 120.400 0.015 0.000 2.034 388 K HA -0.228 4.091 4.320 -0.001 0.000 0.214 388 K C 2.040 178.694 176.600 0.090 0.000 1.051 388 K CA 1.348 57.707 56.287 0.119 0.000 0.931 388 K CB -0.167 32.395 32.500 0.103 0.000 0.715 388 K HN 0.164 nan 8.250 nan 0.000 0.446 389 K N 0.811 121.246 120.400 0.059 0.000 2.057 389 K HA -0.084 4.235 4.320 -0.001 0.000 0.206 389 K C 2.161 178.805 176.600 0.073 0.000 1.050 389 K CA 1.355 57.675 56.287 0.055 0.000 0.935 389 K CB 0.036 32.567 32.500 0.051 0.000 0.715 389 K HN -0.006 nan 8.250 nan 0.000 0.439 390 S N 1.086 116.825 115.700 0.065 0.000 2.407 390 S HA -0.178 4.291 4.470 -0.001 0.000 0.235 390 S C 1.785 176.460 174.600 0.125 0.000 1.036 390 S CA 1.518 59.759 58.200 0.069 0.000 1.013 390 S CB -0.224 62.969 63.200 -0.011 0.000 0.820 390 S HN 0.317 nan 8.310 nan 0.000 0.476 391 I N 0.217 120.849 120.570 0.102 0.000 2.556 391 I HA -0.069 4.101 4.170 -0.001 0.000 0.251 391 I C 2.447 178.603 176.117 0.065 0.000 1.105 391 I CA 0.802 62.160 61.300 0.096 0.000 1.436 391 I CB -0.987 37.077 38.000 0.106 0.000 1.139 391 I HN 0.171 nan 8.210 nan 0.000 0.438 392 T N 0.947 115.532 114.554 0.053 0.000 2.592 392 T HA -0.265 4.085 4.350 -0.001 0.000 0.267 392 T C 1.695 176.377 174.700 -0.030 0.000 1.060 392 T CA 1.952 64.064 62.100 0.018 0.000 1.167 392 T CB -0.340 68.540 68.868 0.020 0.000 0.863 392 T HN 0.412 nan 8.240 nan 0.000 0.431 393 E N -0.291 119.864 120.200 -0.075 0.000 2.230 393 E HA -0.015 4.334 4.350 -0.001 0.000 0.192 393 E C 0.258 176.598 176.600 -0.433 0.000 0.987 393 E CA 0.595 56.840 56.400 -0.259 0.000 0.841 393 E CB 0.122 29.614 29.700 -0.347 0.000 0.783 393 E HN 0.644 nan 8.360 nan 0.000 0.481 394 H N 1.041 120.108 119.070 -0.006 0.000 2.317 394 H HA 0.102 4.657 4.556 -0.001 0.000 0.231 394 H C -0.805 174.521 175.328 -0.003 0.000 1.442 394 H CA -0.733 55.309 56.048 -0.009 0.000 1.336 394 H CB 0.093 29.843 29.762 -0.021 0.000 1.533 394 H HN 0.032 nan 8.280 nan 0.000 0.522 395 E N -0.171 120.064 120.200 0.057 0.000 2.371 395 E HA 0.398 4.747 4.350 -0.001 0.000 0.257 395 E C 1.486 178.109 176.600 0.039 0.000 1.134 395 E CA -0.268 56.158 56.400 0.043 0.000 0.919 395 E CB 0.441 30.152 29.700 0.018 0.000 1.025 395 E HN 0.414 nan 8.360 nan 0.000 0.438 396 G N 0.694 109.511 108.800 0.028 0.000 2.328 396 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.256 396 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.256 396 G C 1.090 176.004 174.900 0.023 0.000 1.014 396 G CA 0.802 45.914 45.100 0.021 0.000 0.620 396 G HN 0.539 nan 8.290 nan 0.000 0.530 397 E N -0.868 119.354 120.200 0.036 0.000 2.290 397 E HA 0.369 4.718 4.350 -0.001 0.000 0.199 397 E C 0.729 177.344 176.600 0.025 0.000 0.912 397 E CA 0.295 56.713 56.400 0.030 0.000 0.924 397 E CB 0.347 30.072 29.700 0.042 0.000 0.901 397 E HN 0.394 nan 8.360 nan 0.000 0.487 398 I N 0.081 120.677 120.570 0.043 0.000 2.545 398 I HA 0.658 4.827 4.170 -0.001 0.000 0.292 398 I C 0.544 176.693 176.117 0.053 0.000 1.040 398 I CA -0.519 60.804 61.300 0.039 0.000 1.068 398 I CB 1.115 39.137 38.000 0.036 0.000 1.251 398 I HN 0.185 nan 8.210 nan 0.000 0.424 399 G N 5.575 114.408 108.800 0.055 0.000 2.474 399 G HA2 0.514 4.473 3.960 -0.001 0.000 0.234 399 G HA3 0.514 4.473 3.960 -0.001 0.000 0.234 399 G C -1.743 173.202 174.900 0.076 0.000 1.204 399 G CA -0.604 44.535 45.100 0.065 0.000 0.939 399 G HN 0.502 nan 8.290 nan 0.000 0.491 400 K N -0.332 120.090 120.400 0.037 0.000 2.426 400 K HA 0.815 5.134 4.320 -0.001 0.000 0.251 400 K C -0.547 176.040 176.600 -0.022 0.000 0.941 400 K CA -0.691 55.608 56.287 0.020 0.000 0.808 400 K CB 2.453 34.937 32.500 -0.026 0.000 1.265 400 K HN 1.161 nan 8.250 nan 0.000 0.432 401 I N -2.755 117.802 120.570 -0.021 0.000 2.752 401 I HA 0.561 4.730 4.170 -0.001 0.000 0.295 401 I C -2.883 173.194 176.117 -0.067 0.000 1.219 401 I CA -2.712 58.564 61.300 -0.041 0.000 1.030 401 I CB 2.631 40.617 38.000 -0.023 0.000 1.259 401 I HN 0.310 nan 8.210 nan 0.000 0.423 402 P HA 0.043 nan 4.420 nan 0.000 0.265 402 P C -0.623 176.585 177.300 -0.154 0.000 1.193 402 P CA -0.131 62.900 63.100 -0.115 0.000 0.765 402 P CB 0.403 32.044 31.700 -0.098 0.000 0.823 403 L N 4.613 125.704 121.223 -0.221 0.000 2.433 403 L HA 0.124 4.463 4.340 -0.001 0.000 0.275 403 L C -0.002 176.709 176.870 -0.264 0.000 1.128 403 L CA 0.736 55.366 54.840 -0.349 0.000 0.875 403 L CB -0.522 41.275 42.059 -0.436 0.000 1.171 403 L HN 0.237 nan 8.230 nan 0.000 0.463 404 K N 5.923 126.186 120.400 -0.227 0.000 2.562 404 K HA 0.318 4.637 4.320 -0.001 0.000 0.206 404 K C -1.069 175.476 176.600 -0.091 0.000 1.033 404 K CA -0.789 55.420 56.287 -0.131 0.000 1.029 404 K CB 0.582 33.038 32.500 -0.074 0.000 1.393 404 K HN 0.391 nan 8.250 nan 0.000 0.539 405 L N 4.025 125.182 121.223 -0.110 0.000 2.654 405 L HA -0.080 4.259 4.340 -0.001 0.000 0.271 405 L C 0.997 177.862 176.870 -0.007 0.000 1.169 405 L CA 0.643 55.456 54.840 -0.045 0.000 0.947 405 L CB -0.706 41.311 42.059 -0.069 0.000 1.232 405 L HN 0.567 nan 8.230 nan 0.000 0.486 406 D N 1.616 122.043 120.400 0.045 0.000 2.356 406 D HA -0.012 4.627 4.640 -0.001 0.000 0.258 406 D C 1.054 177.433 176.300 0.131 0.000 1.279 406 D CA -0.135 53.929 54.000 0.107 0.000 1.016 406 D CB 0.269 41.126 40.800 0.095 0.000 1.107 406 D HN 0.427 nan 8.370 nan 0.000 0.544 407 H N -0.645 118.402 119.070 -0.039 0.000 2.894 407 H HA -0.145 4.411 4.556 -0.001 0.000 0.299 407 H C 1.989 177.293 175.328 -0.040 0.000 1.022 407 H CA 1.953 57.974 56.048 -0.046 0.000 1.061 407 H CB -1.136 28.603 29.762 -0.038 0.000 1.519 407 H HN 0.258 nan 8.280 nan 0.000 0.783 408 L N -0.016 121.289 121.223 0.137 0.000 2.030 408 L HA -0.290 4.050 4.340 -0.001 0.000 0.222 408 L C 2.524 179.412 176.870 0.030 0.000 1.082 408 L CA 2.268 57.141 54.840 0.055 0.000 0.785 408 L CB -1.159 40.919 42.059 0.032 0.000 0.895 408 L HN 0.198 nan 8.230 nan 0.000 0.439 409 R N 0.032 120.553 120.500 0.034 0.000 2.178 409 R HA -0.223 4.117 4.340 -0.001 0.000 0.257 409 R C 2.125 178.430 176.300 0.008 0.000 1.163 409 R CA 1.782 57.897 56.100 0.026 0.000 0.981 409 R CB -0.766 29.563 30.300 0.048 0.000 0.878 409 R HN 0.346 nan 8.270 nan 0.000 0.454 410 I N 0.870 121.436 120.570 -0.006 0.000 2.286 410 I HA -0.202 3.967 4.170 -0.001 0.000 0.248 410 I C 1.689 177.792 176.117 -0.025 0.000 1.115 410 I CA 1.614 62.895 61.300 -0.031 0.000 1.392 410 I CB -0.789 37.171 38.000 -0.067 0.000 1.065 410 I HN 0.384 nan 8.210 nan 0.000 0.418 411 E N -0.147 120.043 120.200 -0.016 0.000 2.274 411 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 411 E C 1.916 178.513 176.600 -0.004 0.000 0.996 411 E CA 0.565 56.958 56.400 -0.011 0.000 0.840 411 E CB 0.072 29.768 29.700 -0.007 0.000 0.772 411 E HN 0.512 nan 8.360 nan 0.000 0.491 412 E N 1.018 121.217 120.200 -0.002 0.000 2.076 412 E HA -0.089 4.261 4.350 -0.001 0.000 0.190 412 E C 1.443 178.043 176.600 0.000 0.000 0.979 412 E CA 0.369 56.769 56.400 0.001 0.000 0.807 412 E CB 0.143 29.844 29.700 0.002 0.000 0.761 412 E HN 0.187 nan 8.360 nan 0.000 0.454 413 L N 1.154 122.374 121.223 -0.005 0.000 2.762 413 L HA 0.061 4.401 4.340 -0.001 0.000 0.250 413 L C 2.035 178.902 176.870 -0.005 0.000 1.160 413 L CA 0.185 55.020 54.840 -0.009 0.000 0.951 413 L CB -0.340 41.704 42.059 -0.025 0.000 1.148 413 L HN 0.066 nan 8.230 nan 0.000 0.424 414 K N 1.053 121.453 120.400 0.000 0.000 2.354 414 K HA -0.025 4.295 4.320 -0.001 0.000 0.210 414 K C 1.809 178.415 176.600 0.011 0.000 1.184 414 K CA 0.680 56.971 56.287 0.006 0.000 0.880 414 K CB 0.197 32.698 32.500 0.002 0.000 1.328 414 K HN 0.280 nan 8.250 nan 0.000 0.466 415 E N 0.616 120.821 120.200 0.009 0.000 2.268 415 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 415 E C 1.168 177.776 176.600 0.014 0.000 0.995 415 E CA 0.951 57.358 56.400 0.011 0.000 0.836 415 E CB -0.241 29.464 29.700 0.008 0.000 0.763 415 E HN 0.182 nan 8.360 nan 0.000 0.491 416 N N 0.687 119.395 118.700 0.014 0.000 2.446 416 N HA -0.033 4.706 4.740 -0.001 0.000 0.179 416 N C 0.999 176.523 175.510 0.024 0.000 1.054 416 N CA 1.181 54.241 53.050 0.018 0.000 0.905 416 N CB 0.454 38.951 38.487 0.015 0.000 0.973 416 N HN 0.470 nan 8.380 nan 0.000 0.448 417 G N 1.040 109.854 108.800 0.022 0.000 2.148 417 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.254 417 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.254 417 G C 0.906 175.826 174.900 0.034 0.000 0.981 417 G CA 0.174 45.291 45.100 0.029 0.000 0.670 417 G HN 0.264 nan 8.290 nan 0.000 0.528 418 I N 0.557 121.142 120.570 0.024 0.000 2.315 418 I HA 0.130 4.299 4.170 -0.001 0.000 0.248 418 I C 1.718 177.834 176.117 -0.001 0.000 1.117 418 I CA 1.759 63.070 61.300 0.018 0.000 1.404 418 I CB -0.901 37.095 38.000 -0.006 0.000 1.071 418 I HN 0.631 nan 8.210 nan 0.000 0.419 419 I N -1.667 118.900 120.570 -0.007 0.000 2.894 419 I HA 0.454 4.624 4.170 -0.001 0.000 0.302 419 I C -1.097 175.031 176.117 0.019 0.000 1.188 419 I CA -0.972 60.325 61.300 -0.006 0.000 1.014 419 I CB 3.090 41.060 38.000 -0.050 0.000 1.242 419 I HN -0.259 nan 8.210 nan 0.000 0.430 420 L N 3.634 124.883 121.223 0.042 0.000 2.325 420 L HA 0.546 4.885 4.340 -0.001 0.000 0.281 420 L C -1.025 175.883 176.870 0.064 0.000 1.004 420 L CA -0.383 54.488 54.840 0.052 0.000 0.823 420 L CB 1.653 43.751 42.059 0.065 0.000 1.236 420 L HN 0.862 nan 8.230 nan 0.000 0.415 421 K N 4.019 124.452 120.400 0.055 0.000 2.266 421 K HA 0.557 4.877 4.320 -0.001 0.000 0.274 421 K C 0.023 176.677 176.600 0.089 0.000 1.090 421 K CA -0.117 56.213 56.287 0.071 0.000 0.925 421 K CB 0.974 33.498 32.500 0.040 0.000 1.225 421 K HN 0.951 nan 8.250 nan 0.000 0.458 422 G N 2.731 111.595 108.800 0.107 0.000 3.407 422 G HA2 0.132 4.092 3.960 -0.001 0.000 0.187 422 G HA3 0.132 4.092 3.960 -0.001 0.000 0.187 422 G C -0.830 174.132 174.900 0.104 0.000 1.262 422 G CA -0.548 44.611 45.100 0.098 0.000 0.808 422 G HN 0.536 nan 8.290 nan 0.000 0.687 423 K N 0.731 121.181 120.400 0.083 0.000 2.611 423 K HA 0.024 4.344 4.320 -0.001 0.000 0.280 423 K C -0.024 176.610 176.600 0.056 0.000 0.964 423 K CA 0.929 57.254 56.287 0.063 0.000 1.029 423 K CB 0.235 32.771 32.500 0.061 0.000 0.862 423 K HN 0.351 nan 8.250 nan 0.000 0.501 424 K N 1.783 122.182 120.400 -0.001 0.000 2.380 424 K HA 0.443 4.763 4.320 -0.001 0.000 0.243 424 K C -0.901 175.666 176.600 -0.056 0.000 1.071 424 K CA -0.926 55.315 56.287 -0.078 0.000 0.942 424 K CB 1.226 33.587 32.500 -0.231 0.000 1.324 424 K HN 0.483 nan 8.250 nan 0.000 0.517 425 E N -0.026 120.114 120.200 -0.100 0.000 2.417 425 E HA 0.343 4.693 4.350 -0.001 0.000 0.280 425 E C -1.912 174.607 176.600 -0.134 0.000 1.112 425 E CA -0.542 55.816 56.400 -0.071 0.000 0.863 425 E CB 1.184 30.888 29.700 0.006 0.000 1.346 425 E HN 0.339 nan 8.360 nan 0.000 0.443 426 I N 2.809 123.304 120.570 -0.126 0.000 2.437 426 I HA 0.287 4.457 4.170 -0.001 0.000 0.279 426 I C 0.072 176.076 176.117 -0.190 0.000 1.028 426 I CA -0.244 60.949 61.300 -0.179 0.000 1.142 426 I CB 1.112 39.037 38.000 -0.125 0.000 1.266 426 I HN 0.537 nan 8.210 nan 0.000 0.461 427 D N 3.515 123.728 120.400 -0.312 0.000 2.735 427 D HA 0.087 4.727 4.640 -0.001 0.000 0.267 427 D C 0.597 176.798 176.300 -0.165 0.000 1.081 427 D CA 1.094 54.961 54.000 -0.222 0.000 0.980 427 D CB 0.733 41.379 40.800 -0.256 0.000 1.129 427 D HN 0.340 nan 8.370 nan 0.000 0.459 428 N N -0.522 118.060 118.700 -0.196 0.000 2.480 428 N HA 0.346 5.086 4.740 -0.001 0.000 0.281 428 N C 0.301 175.737 175.510 -0.123 0.000 1.381 428 N CA 0.319 53.300 53.050 -0.115 0.000 0.903 428 N CB 1.393 39.836 38.487 -0.075 0.000 1.274 428 N HN 0.274 nan 8.380 nan 0.000 0.505 429 G N 0.522 109.228 108.800 -0.157 0.000 2.138 429 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.193 429 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.193 429 G C -0.232 174.560 174.900 -0.180 0.000 0.998 429 G CA -0.437 44.578 45.100 -0.142 0.000 0.668 429 G HN 0.285 nan 8.290 nan 0.000 0.516 430 K N -0.116 120.104 120.400 -0.300 0.000 2.426 430 K HA 0.521 4.840 4.320 -0.001 0.000 0.251 430 K C -0.368 175.977 176.600 -0.425 0.000 0.941 430 K CA -0.972 55.116 56.287 -0.331 0.000 0.808 430 K CB 2.114 34.395 32.500 -0.365 0.000 1.265 430 K HN 0.042 nan 8.250 nan 0.000 0.432 431 K N 2.191 122.461 120.400 -0.217 0.000 2.312 431 K HA 0.198 4.517 4.320 -0.001 0.000 0.287 431 K C -0.994 175.635 176.600 0.047 0.000 1.062 431 K CA -0.028 56.152 56.287 -0.179 0.000 0.934 431 K CB 0.480 32.892 32.500 -0.147 0.000 1.027 431 K HN 0.512 nan 8.250 nan 0.000 0.478 432 Y N 3.423 123.610 120.300 -0.188 0.000 2.376 432 Y HA 0.144 4.694 4.550 -0.001 0.000 0.326 432 Y C -0.017 175.809 175.900 -0.124 0.000 0.970 432 Y CA -1.363 56.668 58.100 -0.116 0.000 1.248 432 Y CB 0.763 39.107 38.460 -0.192 0.000 1.117 432 Y HN 0.515 nan 8.280 nan 0.000 0.476 433 Y N 2.510 122.862 120.300 0.087 0.000 2.153 433 Y HA 0.065 4.615 4.550 -0.001 0.000 0.383 433 Y C 0.169 176.098 175.900 0.048 0.000 1.281 433 Y CA -0.229 57.900 58.100 0.048 0.000 1.804 433 Y CB 0.348 38.818 38.460 0.017 0.000 1.546 433 Y HN 0.317 nan 8.280 nan 0.000 0.694 434 L N 1.923 123.262 121.223 0.194 0.000 2.491 434 L HA 0.379 4.719 4.340 -0.001 0.000 0.267 434 L C -1.627 175.349 176.870 0.176 0.000 0.971 434 L CA -0.453 54.483 54.840 0.160 0.000 0.857 434 L CB 0.679 42.843 42.059 0.175 0.000 1.226 434 L HN 0.525 nan 8.230 nan 0.000 0.408 435 L N 3.700 125.027 121.223 0.173 0.000 2.319 435 L HA 0.328 4.668 4.340 -0.001 0.000 0.280 435 L C 0.145 177.149 176.870 0.224 0.000 1.099 435 L CA -0.254 54.678 54.840 0.153 0.000 0.828 435 L CB 1.471 43.581 42.059 0.084 0.000 1.150 435 L HN 0.593 nan 8.230 nan 0.000 0.442 436 E N 2.600 122.904 120.200 0.173 0.000 2.204 436 E HA 0.483 4.833 4.350 -0.001 0.000 0.276 436 E C -1.052 175.646 176.600 0.164 0.000 0.974 436 E CA -0.240 56.279 56.400 0.199 0.000 0.815 436 E CB 1.764 31.559 29.700 0.157 0.000 1.119 436 E HN 0.423 nan 8.360 nan 0.000 0.393 437 S N 3.315 119.150 115.700 0.225 0.000 2.546 437 S HA 0.269 4.739 4.470 -0.001 0.000 0.272 437 S C 0.034 174.783 174.600 0.249 0.000 1.140 437 S CA -0.733 57.585 58.200 0.196 0.000 0.920 437 S CB 0.834 64.115 63.200 0.134 0.000 1.083 437 S HN 0.690 nan 8.310 nan 0.000 0.476 438 N N 2.967 121.788 118.700 0.203 0.000 2.666 438 N HA -0.101 4.639 4.740 -0.001 0.000 0.194 438 N C 0.534 176.171 175.510 0.211 0.000 1.220 438 N CA 0.047 53.205 53.050 0.180 0.000 0.928 438 N CB -0.173 38.392 38.487 0.130 0.000 0.997 438 N HN 0.635 nan 8.380 nan 0.000 0.447 439 N N 1.553 120.451 118.700 0.329 0.000 2.344 439 N HA -0.145 4.595 4.740 -0.001 0.000 0.236 439 N C 0.401 176.051 175.510 0.234 0.000 1.279 439 N CA 0.583 53.840 53.050 0.344 0.000 0.882 439 N CB 0.707 39.611 38.487 0.694 0.000 1.110 439 N HN 0.325 nan 8.380 nan 0.000 0.436 440 Q N 0.816 120.712 119.800 0.160 0.000 2.175 440 Q HA 0.300 4.639 4.340 -0.001 0.000 0.225 440 Q C -0.216 175.822 176.000 0.063 0.000 0.837 440 Q CA -0.344 55.517 55.803 0.096 0.000 1.032 440 Q CB 0.442 29.210 28.738 0.050 0.000 1.137 440 Q HN 0.356 nan 8.270 nan 0.000 0.483 441 V N -1.260 118.703 119.914 0.082 0.000 3.213 441 V HA 0.215 4.335 4.120 -0.001 0.000 0.260 441 V C -0.314 175.928 176.094 0.247 0.000 1.663 441 V CA -0.072 62.256 62.300 0.046 0.000 1.026 441 V CB 0.440 32.206 31.823 -0.095 0.000 0.874 441 V HN 0.341 nan 8.190 nan 0.000 0.410 442 Y N 0.983 121.302 120.300 0.030 0.000 2.376 442 Y HA 0.654 5.204 4.550 -0.001 0.000 0.340 442 Y C 0.052 175.733 175.900 -0.366 0.000 0.965 442 Y CA -0.866 57.109 58.100 -0.209 0.000 1.078 442 Y CB 2.042 40.487 38.460 -0.024 0.000 1.193 442 Y HN 0.171 nan 8.280 nan 0.000 0.452 443 E N 2.724 122.652 120.200 -0.453 0.000 2.221 443 E HA 0.540 4.889 4.350 -0.001 0.000 0.268 443 E C -1.659 174.673 176.600 -0.448 0.000 0.933 443 E CA -0.789 55.457 56.400 -0.257 0.000 0.809 443 E CB 2.146 31.741 29.700 -0.176 0.000 1.190 443 E HN 0.332 nan 8.360 nan 0.000 0.406 444 F N 0.652 120.838 119.950 0.394 0.000 2.576 444 F HA 0.524 5.050 4.527 -0.001 0.000 0.313 444 F C -0.192 175.819 175.800 0.352 0.000 1.078 444 F CA -1.066 57.206 58.000 0.454 0.000 0.921 444 F CB 1.705 40.821 39.000 0.194 0.000 1.232 444 F HN 0.324 nan 8.300 nan 0.000 0.459 445 R N 2.279 122.917 120.500 0.230 0.000 2.651 445 R HA 0.794 5.134 4.340 -0.001 0.000 0.278 445 R C -2.095 174.016 176.300 -0.315 0.000 1.010 445 R CA -0.798 55.196 56.100 -0.178 0.000 0.896 445 R CB 2.585 32.471 30.300 -0.690 0.000 1.211 445 R HN 0.856 nan 8.270 nan 0.000 0.456 446 I N 2.730 123.160 120.570 -0.234 0.000 2.410 446 I HA 0.225 4.395 4.170 -0.001 0.000 0.286 446 I C 0.058 176.056 176.117 -0.199 0.000 1.009 446 I CA -0.442 60.721 61.300 -0.229 0.000 1.111 446 I CB 1.946 39.883 38.000 -0.104 0.000 1.262 446 I HN 0.977 nan 8.210 nan 0.000 0.443 447 S N 4.866 120.369 115.700 -0.327 0.000 2.586 447 S HA -0.109 4.360 4.470 -0.001 0.000 0.256 447 S C 0.725 175.420 174.600 0.158 0.000 1.392 447 S CA 0.765 58.962 58.200 -0.004 0.000 0.983 447 S CB 0.665 63.881 63.200 0.026 0.000 0.897 447 S HN 0.874 nan 8.310 nan 0.000 0.566 448 D N -0.097 120.444 120.400 0.236 0.000 2.725 448 D HA 0.053 4.692 4.640 -0.001 0.000 0.269 448 D C 1.780 178.136 176.300 0.093 0.000 1.018 448 D CA 0.635 54.751 54.000 0.193 0.000 0.956 448 D CB -0.382 40.560 40.800 0.237 0.000 1.141 448 D HN 0.770 nan 8.370 nan 0.000 0.478 449 E N 0.514 120.764 120.200 0.083 0.000 2.045 449 E HA -0.163 4.186 4.350 -0.001 0.000 0.212 449 E C 0.621 177.240 176.600 0.031 0.000 1.039 449 E CA 1.312 57.739 56.400 0.045 0.000 0.860 449 E CB -0.000 29.725 29.700 0.041 0.000 0.776 449 E HN 0.403 nan 8.360 nan 0.000 0.467 450 N N -0.916 117.800 118.700 0.027 0.000 2.531 450 N HA 0.123 4.862 4.740 -0.001 0.000 0.290 450 N C -0.754 174.750 175.510 -0.010 0.000 1.257 450 N CA -0.525 52.528 53.050 0.005 0.000 0.863 450 N CB 0.736 39.219 38.487 -0.006 0.000 1.320 450 N HN -0.063 nan 8.380 nan 0.000 0.538 451 N N -0.521 118.159 118.700 -0.033 0.000 2.279 451 N HA 0.076 4.816 4.740 -0.001 0.000 0.226 451 N C -0.674 174.777 175.510 -0.099 0.000 1.126 451 N CA -0.236 52.777 53.050 -0.063 0.000 0.846 451 N CB 0.292 38.740 38.487 -0.065 0.000 1.050 451 N HN 0.509 nan 8.380 nan 0.000 0.502 452 E N 0.253 120.392 120.200 -0.102 0.000 2.485 452 E HA 0.008 4.357 4.350 -0.001 0.000 0.266 452 E C -0.313 176.177 176.600 -0.183 0.000 1.090 452 E CA 0.464 56.782 56.400 -0.136 0.000 0.987 452 E CB 0.791 30.420 29.700 -0.119 0.000 0.974 452 E HN -0.065 nan 8.360 nan 0.000 0.455 453 V N 1.615 121.419 119.914 -0.183 0.000 2.864 453 V HA 0.326 4.446 4.120 -0.001 0.000 0.314 453 V C -0.370 175.651 176.094 -0.121 0.000 1.073 453 V CA -0.738 61.462 62.300 -0.168 0.000 0.956 453 V CB 1.942 33.675 31.823 -0.149 0.000 1.023 453 V HN 0.633 nan 8.190 nan 0.000 0.435 454 Q N 2.035 121.808 119.800 -0.045 0.000 2.456 454 Q HA 0.685 5.024 4.340 -0.001 0.000 0.284 454 Q C -1.688 174.677 176.000 0.609 0.000 1.061 454 Q CA -0.779 55.118 55.803 0.156 0.000 0.799 454 Q CB 3.249 31.945 28.738 -0.070 0.000 1.445 454 Q HN 0.872 nan 8.270 nan 0.000 0.411 455 Y N -1.565 118.970 120.300 0.392 0.000 2.728 455 Y HA 0.825 5.375 4.550 -0.001 0.000 0.330 455 Y C -1.430 174.434 175.900 -0.060 0.000 1.234 455 Y CA -1.286 56.840 58.100 0.044 0.000 1.070 455 Y CB 1.883 40.102 38.460 -0.402 0.000 1.300 455 Y HN 0.690 nan 8.280 nan 0.000 0.467 456 K N -0.791 119.257 120.400 -0.587 0.000 2.711 456 K HA 0.354 4.673 4.320 -0.001 0.000 0.294 456 K C -1.701 174.499 176.600 -0.666 0.000 1.037 456 K CA -0.752 55.227 56.287 -0.514 0.000 0.858 456 K CB 1.518 33.662 32.500 -0.592 0.000 1.521 456 K HN 0.806 nan 8.250 nan 0.000 0.386 457 T N -0.283 113.882 114.554 -0.648 0.000 2.832 457 T HA 0.267 4.617 4.350 -0.001 0.000 0.296 457 T C -0.077 174.449 174.700 -0.291 0.000 0.968 457 T CA -0.767 61.082 62.100 -0.419 0.000 1.107 457 T CB 0.578 69.189 68.868 -0.428 0.000 0.916 457 T HN 0.473 nan 8.240 nan 0.000 0.517 458 K N 2.763 123.054 120.400 -0.183 0.000 2.469 458 K HA -0.011 4.308 4.320 -0.001 0.000 0.274 458 K C 1.308 177.830 176.600 -0.130 0.000 0.983 458 K CA 0.015 56.211 56.287 -0.152 0.000 0.974 458 K CB 0.480 32.935 32.500 -0.075 0.000 0.913 458 K HN 0.725 nan 8.250 nan 0.000 0.493 459 E N 0.730 120.861 120.200 -0.116 0.000 2.396 459 E HA -0.151 4.199 4.350 -0.001 0.000 0.200 459 E C 1.010 177.571 176.600 -0.065 0.000 1.023 459 E CA 0.827 57.174 56.400 -0.088 0.000 0.857 459 E CB 0.015 29.675 29.700 -0.067 0.000 0.775 459 E HN 0.754 nan 8.360 nan 0.000 0.525 460 G N 0.523 109.288 108.800 -0.058 0.000 4.144 460 G HA2 0.223 4.182 3.960 -0.001 0.000 0.297 460 G HA3 0.223 4.182 3.960 -0.001 0.000 0.297 460 G C -0.146 174.728 174.900 -0.043 0.000 1.090 460 G CA -0.304 44.770 45.100 -0.043 0.000 0.870 460 G HN -0.132 nan 8.290 nan 0.000 0.532 461 K N -0.265 120.101 120.400 -0.057 0.000 2.571 461 K HA 0.727 5.047 4.320 -0.001 0.000 0.289 461 K C -1.734 174.823 176.600 -0.071 0.000 1.028 461 K CA -0.682 55.573 56.287 -0.054 0.000 0.895 461 K CB 1.910 34.386 32.500 -0.040 0.000 1.534 461 K HN -0.008 nan 8.250 nan 0.000 0.421 462 I N -0.508 120.023 120.570 -0.065 0.000 3.279 462 I HA 0.483 4.653 4.170 -0.001 0.000 0.315 462 I C -0.975 175.111 176.117 -0.052 0.000 1.187 462 I CA -0.722 60.533 61.300 -0.075 0.000 0.953 462 I CB 2.575 40.537 38.000 -0.064 0.000 1.279 462 I HN 0.543 nan 8.210 nan 0.000 0.465 463 T N 3.248 117.775 114.554 -0.044 0.000 2.771 463 T HA 0.174 4.523 4.350 -0.001 0.000 0.291 463 T C 1.381 176.083 174.700 0.003 0.000 0.954 463 T CA -0.312 61.801 62.100 0.022 0.000 1.045 463 T CB 1.346 70.244 68.868 0.049 0.000 0.917 463 T HN 0.501 nan 8.240 nan 0.000 0.484 464 V N 3.215 123.122 119.914 -0.013 0.000 2.313 464 V HA -0.185 3.934 4.120 -0.001 0.000 0.253 464 V C 1.980 178.075 176.094 0.000 0.000 1.070 464 V CA 1.704 63.986 62.300 -0.030 0.000 1.057 464 V CB -1.058 30.730 31.823 -0.058 0.000 0.653 464 V HN 0.685 nan 8.190 nan 0.000 0.450 465 L N 1.820 123.065 121.223 0.036 0.000 2.633 465 L HA 0.343 4.682 4.340 -0.001 0.000 0.235 465 L C 1.826 178.716 176.870 0.035 0.000 1.163 465 L CA 1.407 56.273 54.840 0.044 0.000 0.859 465 L CB -1.245 40.862 42.059 0.079 0.000 0.973 465 L HN 0.841 nan 8.230 nan 0.000 0.451 466 G N -0.549 108.263 108.800 0.020 0.000 2.207 466 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 466 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 466 G C 0.054 174.962 174.900 0.013 0.000 1.053 466 G CA -0.327 44.778 45.100 0.008 0.000 0.764 466 G HN 0.378 nan 8.290 nan 0.000 0.495 467 E N -0.411 119.795 120.200 0.010 0.000 2.227 467 E HA 0.645 4.994 4.350 -0.001 0.000 0.268 467 E C -0.189 176.342 176.600 -0.116 0.000 0.907 467 E CA -0.899 55.502 56.400 0.003 0.000 0.786 467 E CB 1.894 31.645 29.700 0.084 0.000 1.191 467 E HN 0.182 nan 8.360 nan 0.000 0.411 468 K N 3.616 123.941 120.400 -0.125 0.000 2.668 468 K HA 0.284 4.604 4.320 -0.001 0.000 0.246 468 K C -1.760 174.746 176.600 -0.156 0.000 0.976 468 K CA -0.490 55.660 56.287 -0.228 0.000 0.902 468 K CB 0.476 32.900 32.500 -0.126 0.000 1.172 468 K HN 0.378 nan 8.250 nan 0.000 0.452 469 F N 0.279 120.127 119.950 -0.170 0.000 2.603 469 F HA 0.574 5.100 4.527 -0.001 0.000 0.317 469 F C -0.633 175.006 175.800 -0.269 0.000 1.066 469 F CA -1.315 56.566 58.000 -0.197 0.000 0.941 469 F CB 0.890 39.770 39.000 -0.200 0.000 1.291 469 F HN 0.204 nan 8.300 nan 0.000 0.472 470 N N 0.654 119.445 118.700 0.151 0.000 2.508 470 N HA 0.143 4.883 4.740 -0.001 0.000 0.285 470 N C -1.010 174.551 175.510 0.085 0.000 1.144 470 N CA -0.436 52.626 53.050 0.019 0.000 0.978 470 N CB 0.881 39.386 38.487 0.030 0.000 1.180 470 N HN 0.834 nan 8.380 nan 0.000 0.484 471 W N 1.942 123.251 121.300 0.015 0.000 2.426 471 W HA -0.220 4.440 4.660 -0.001 0.000 0.352 471 W C 0.581 177.079 176.519 -0.035 0.000 0.797 471 W CA 0.293 57.638 57.345 0.001 0.000 0.813 471 W CB -0.097 29.386 29.460 0.038 0.000 0.976 471 W HN 0.191 nan 8.180 nan 0.000 0.567 472 R N 2.475 123.142 120.500 0.279 0.000 2.795 472 R HA 0.283 4.622 4.340 -0.001 0.000 0.275 472 R C -0.413 175.983 176.300 0.159 0.000 0.981 472 R CA -1.470 54.686 56.100 0.094 0.000 0.917 472 R CB 1.258 31.464 30.300 -0.157 0.000 1.202 472 R HN 0.227 nan 8.270 nan 0.000 0.469 473 N N 1.174 119.890 118.700 0.028 0.000 2.508 473 N HA 0.153 4.893 4.740 -0.001 0.000 0.264 473 N C -0.382 175.084 175.510 -0.073 0.000 1.216 473 N CA -0.084 52.944 53.050 -0.035 0.000 0.943 473 N CB 0.561 39.004 38.487 -0.074 0.000 1.113 473 N HN 0.394 nan 8.380 nan 0.000 0.447 474 I N 1.434 121.909 120.570 -0.158 0.000 2.308 474 I HA 0.029 4.199 4.170 -0.001 0.000 0.293 474 I C 0.452 176.455 176.117 -0.191 0.000 1.078 474 I CA -0.146 60.989 61.300 -0.275 0.000 1.292 474 I CB 0.045 37.840 38.000 -0.341 0.000 1.423 474 I HN 0.373 nan 8.210 nan 0.000 0.493 475 E N 5.913 126.036 120.200 -0.128 0.000 2.319 475 E HA 0.507 4.856 4.350 -0.001 0.000 0.268 475 E C -0.549 176.051 176.600 0.000 0.000 1.050 475 E CA -0.575 55.778 56.400 -0.079 0.000 0.878 475 E CB 2.087 31.721 29.700 -0.110 0.000 1.066 475 E HN 0.445 nan 8.360 nan 0.000 0.406 476 V N -1.690 118.236 119.914 0.020 0.000 3.167 476 V HA 0.515 4.634 4.120 -0.001 0.000 0.310 476 V C -0.497 175.673 176.094 0.128 0.000 1.207 476 V CA -1.347 61.005 62.300 0.087 0.000 1.059 476 V CB 1.856 33.706 31.823 0.046 0.000 1.079 476 V HN 0.497 nan 8.190 nan 0.000 0.446 477 M N 1.628 121.314 119.600 0.145 0.000 2.255 477 M HA 0.846 5.326 4.480 -0.001 0.000 0.336 477 M C 0.024 176.380 176.300 0.093 0.000 1.135 477 M CA 0.079 55.452 55.300 0.121 0.000 1.145 477 M CB 0.912 33.571 32.600 0.097 0.000 1.473 477 M HN 1.310 nan 8.290 nan 0.000 0.462 478 A N 2.300 125.159 122.820 0.066 0.000 2.604 478 A HA 0.713 5.032 4.320 -0.001 0.000 0.295 478 A C -1.176 176.424 177.584 0.026 0.000 1.067 478 A CA -0.978 51.086 52.037 0.046 0.000 0.683 478 A CB 1.744 20.770 19.000 0.042 0.000 1.281 478 A HN 0.817 nan 8.150 nan 0.000 0.407 479 K N 0.793 121.200 120.400 0.013 0.000 2.340 479 K HA 0.546 4.865 4.320 -0.001 0.000 0.244 479 K C -0.223 176.377 176.600 0.000 0.000 0.973 479 K CA -0.795 55.493 56.287 0.003 0.000 0.828 479 K CB 1.613 34.106 32.500 -0.012 0.000 1.226 479 K HN 0.697 nan 8.250 nan 0.000 0.437 480 N N 1.060 119.760 118.700 0.001 0.000 2.492 480 N HA 0.105 4.845 4.740 -0.001 0.000 0.262 480 N C -1.192 174.314 175.510 -0.006 0.000 1.202 480 N CA -0.335 52.714 53.050 -0.001 0.000 0.926 480 N CB 0.523 39.012 38.487 0.003 0.000 1.078 480 N HN 0.356 nan 8.380 nan 0.000 0.454 481 V N 2.642 122.549 119.914 -0.010 0.000 2.624 481 V HA 0.151 4.271 4.120 -0.001 0.000 0.294 481 V C -0.599 175.484 176.094 -0.017 0.000 1.077 481 V CA -0.816 61.475 62.300 -0.015 0.000 0.905 481 V CB 1.438 33.245 31.823 -0.028 0.000 1.025 481 V HN 0.780 nan 8.190 nan 0.000 0.440 482 E N 2.546 122.739 120.200 -0.010 0.000 2.328 482 E HA -0.248 4.102 4.350 -0.001 0.000 0.233 482 E C 1.173 177.766 176.600 -0.011 0.000 1.219 482 E CA 1.294 57.688 56.400 -0.010 0.000 0.717 482 E CB -1.364 28.326 29.700 -0.016 0.000 1.210 482 E HN 1.973 nan 8.360 nan 0.000 0.381 483 G N -0.946 107.850 108.800 -0.007 0.000 2.314 483 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.292 483 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.292 483 G C 0.215 175.109 174.900 -0.010 0.000 1.059 483 G CA 0.391 45.487 45.100 -0.007 0.000 0.982 483 G HN 1.002 nan 8.290 nan 0.000 0.505 484 V N -2.785 117.122 119.914 -0.012 0.000 2.674 484 V HA 0.498 4.617 4.120 -0.001 0.000 0.279 484 V C 0.283 176.369 176.094 -0.012 0.000 1.051 484 V CA -1.516 60.776 62.300 -0.014 0.000 0.912 484 V CB 1.274 33.085 31.823 -0.020 0.000 1.044 484 V HN 0.295 nan 8.190 nan 0.000 0.464 485 L N 3.953 125.172 121.223 -0.007 0.000 2.894 485 L HA 0.062 4.401 4.340 -0.001 0.000 0.286 485 L C 0.829 177.700 176.870 0.001 0.000 1.077 485 L CA 1.303 56.142 54.840 -0.001 0.000 1.070 485 L CB -0.753 41.306 42.059 0.000 0.000 1.470 485 L HN 0.622 nan 8.230 nan 0.000 0.452 486 K N 6.340 126.741 120.400 0.002 0.000 2.156 486 K HA 0.391 4.711 4.320 -0.001 0.000 0.271 486 K C -2.150 174.472 176.600 0.037 0.000 0.995 486 K CA -1.791 54.501 56.287 0.008 0.000 0.890 486 K CB 1.077 33.568 32.500 -0.014 0.000 1.073 486 K HN 0.251 nan 8.250 nan 0.000 0.454 487 P HA -0.060 nan 4.420 nan 0.000 0.266 487 P C -0.715 176.652 177.300 0.112 0.000 1.193 487 P CA 0.344 63.535 63.100 0.151 0.000 0.770 487 P CB 0.688 32.568 31.700 0.300 0.000 0.836 488 L N 1.752 123.043 121.223 0.113 0.000 2.331 488 L HA 0.622 4.962 4.340 -0.001 0.000 0.275 488 L C 0.948 177.796 176.870 -0.036 0.000 1.022 488 L CA -0.229 54.631 54.840 0.033 0.000 0.812 488 L CB 1.922 44.001 42.059 0.033 0.000 1.257 488 L HN 0.463 nan 8.230 nan 0.000 0.435 489 T N 0.843 115.351 114.554 -0.077 0.000 2.792 489 T HA 0.575 4.924 4.350 -0.001 0.000 0.303 489 T C -0.884 173.775 174.700 -0.069 0.000 1.310 489 T CA -0.191 61.837 62.100 -0.120 0.000 1.007 489 T CB 1.536 70.266 68.868 -0.230 0.000 1.335 489 T HN 0.717 nan 8.240 nan 0.000 0.504 490 A N 2.889 125.680 122.820 -0.048 0.000 2.608 490 A HA 0.347 4.667 4.320 -0.001 0.000 0.239 490 A C 0.439 178.000 177.584 -0.039 0.000 1.018 490 A CA 0.745 52.779 52.037 -0.006 0.000 0.766 490 A CB -0.468 18.547 19.000 0.026 0.000 0.928 490 A HN 0.785 nan 8.150 nan 0.000 0.512 491 D N 0.742 121.131 120.400 -0.017 0.000 2.569 491 D HA 0.398 5.037 4.640 -0.001 0.000 0.266 491 D C -0.991 175.365 176.300 0.093 0.000 1.164 491 D CA -0.567 53.371 54.000 -0.102 0.000 1.071 491 D CB 0.198 40.925 40.800 -0.122 0.000 1.183 491 D HN 0.345 nan 8.370 nan 0.000 0.613 492 Y N 0.190 120.501 120.300 0.018 0.000 2.477 492 Y HA 0.266 4.816 4.550 -0.001 0.000 0.349 492 Y C -0.303 175.632 175.900 0.059 0.000 0.977 492 Y CA -0.932 57.245 58.100 0.128 0.000 1.214 492 Y CB 0.125 38.747 38.460 0.270 0.000 1.124 492 Y HN 0.074 nan 8.280 nan 0.000 0.521 493 D N 4.256 124.824 120.400 0.280 0.000 2.380 493 D HA 0.241 4.880 4.640 -0.001 0.000 0.230 493 D C -0.022 176.323 176.300 0.075 0.000 1.154 493 D CA -0.160 53.989 54.000 0.248 0.000 0.859 493 D CB 0.878 41.845 40.800 0.277 0.000 1.045 493 D HN 0.399 nan 8.370 nan 0.000 0.495 494 L N 2.500 123.675 121.223 -0.080 0.000 2.455 494 L HA 0.073 4.413 4.340 -0.001 0.000 0.272 494 L C 1.338 178.173 176.870 -0.058 0.000 1.174 494 L CA -0.372 54.289 54.840 -0.298 0.000 0.869 494 L CB 0.470 42.314 42.059 -0.358 0.000 1.130 494 L HN 0.399 nan 8.230 nan 0.000 0.474 495 F N 3.259 123.110 119.950 -0.165 0.000 2.335 495 F HA 0.359 4.885 4.527 -0.001 0.000 0.296 495 F C 0.803 176.552 175.800 -0.085 0.000 1.091 495 F CA 0.417 58.389 58.000 -0.047 0.000 1.399 495 F CB 0.333 39.355 39.000 0.036 0.000 1.067 495 F HN 0.494 nan 8.300 nan 0.000 0.520 496 A N -0.134 122.823 122.820 0.227 0.000 2.567 496 A HA 0.561 4.880 4.320 -0.001 0.000 0.291 496 A C -2.004 175.601 177.584 0.034 0.000 1.048 496 A CA -0.710 51.366 52.037 0.066 0.000 0.661 496 A CB 0.363 19.529 19.000 0.277 0.000 1.288 496 A HN 0.102 nan 8.150 nan 0.000 0.424 497 L N 0.838 122.064 121.223 0.005 0.000 2.372 497 L HA 0.695 5.034 4.340 -0.001 0.000 0.274 497 L C 0.156 177.234 176.870 0.348 0.000 0.988 497 L CA -0.610 54.354 54.840 0.207 0.000 0.833 497 L CB 2.021 44.233 42.059 0.256 0.000 1.236 497 L HN 0.995 nan 8.230 nan 0.000 0.410 498 A N 5.675 128.712 122.820 0.361 0.000 2.654 498 A HA 0.646 4.966 4.320 -0.001 0.000 0.345 498 A C -2.540 175.259 177.584 0.358 0.000 1.368 498 A CA -1.396 50.862 52.037 0.370 0.000 0.895 498 A CB 0.028 19.260 19.000 0.387 0.000 1.143 498 A HN 0.295 nan 8.150 nan 0.000 0.490 499 P HA 0.177 nan 4.420 nan 0.000 0.282 499 P C 0.343 177.617 177.300 -0.042 0.000 1.249 499 P CA 0.005 63.050 63.100 -0.092 0.000 0.806 499 P CB 1.425 32.737 31.700 -0.647 0.000 0.984 500 S N 2.668 118.269 115.700 -0.164 0.000 2.568 500 S HA 0.010 4.480 4.470 -0.001 0.000 0.282 500 S C 1.515 175.931 174.600 -0.306 0.000 1.338 500 S CA -0.420 57.469 58.200 -0.519 0.000 1.045 500 S CB -0.262 62.578 63.200 -0.601 0.000 0.873 500 S HN 0.476 nan 8.310 nan 0.000 0.516 501 L N 2.919 123.988 121.223 -0.257 0.000 2.079 501 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 501 L C 2.750 179.518 176.870 -0.170 0.000 1.081 501 L CA 2.018 56.768 54.840 -0.150 0.000 0.752 501 L CB -0.914 41.096 42.059 -0.082 0.000 0.896 501 L HN 1.063 nan 8.230 nan 0.000 0.433 502 T N -4.076 110.358 114.554 -0.201 0.000 2.962 502 T HA -0.192 4.158 4.350 -0.001 0.000 0.270 502 T C 1.553 176.140 174.700 -0.190 0.000 1.088 502 T CA 1.141 63.129 62.100 -0.185 0.000 1.127 502 T CB -0.115 68.649 68.868 -0.173 0.000 0.883 502 T HN 0.246 nan 8.240 nan 0.000 0.493 503 E N 1.107 121.184 120.200 -0.206 0.000 2.076 503 E HA 0.063 4.412 4.350 -0.001 0.000 0.190 503 E C 1.771 178.246 176.600 -0.207 0.000 0.979 503 E CA 0.397 56.681 56.400 -0.193 0.000 0.807 503 E CB -0.483 29.096 29.700 -0.200 0.000 0.761 503 E HN 0.427 nan 8.360 nan 0.000 0.454 504 I N 1.195 121.620 120.570 -0.243 0.000 2.248 504 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 504 I C 2.142 178.170 176.117 -0.149 0.000 1.107 504 I CA 1.184 62.358 61.300 -0.210 0.000 1.373 504 I CB -0.556 37.337 38.000 -0.178 0.000 1.055 504 I HN 0.056 nan 8.210 nan 0.000 0.418 505 K N 1.771 122.064 120.400 -0.178 0.000 2.044 505 K HA -0.198 4.121 4.320 -0.001 0.000 0.210 505 K C 1.612 178.065 176.600 -0.244 0.000 1.049 505 K CA 1.755 57.894 56.287 -0.245 0.000 0.927 505 K CB -0.331 31.986 32.500 -0.305 0.000 0.713 505 K HN 0.200 nan 8.250 nan 0.000 0.443 506 K N 0.074 120.356 120.400 -0.197 0.000 2.632 506 K HA -0.058 4.261 4.320 -0.001 0.000 0.196 506 K C 1.286 177.806 176.600 -0.133 0.000 1.023 506 K CA 0.434 56.626 56.287 -0.159 0.000 1.098 506 K CB 0.113 32.539 32.500 -0.124 0.000 0.862 506 K HN 0.211 nan 8.250 nan 0.000 0.504 507 Q N 0.273 119.982 119.800 -0.151 0.000 2.353 507 Q HA 0.212 4.551 4.340 -0.001 0.000 0.240 507 Q C -0.061 175.755 176.000 -0.306 0.000 0.868 507 Q CA 0.144 55.878 55.803 -0.115 0.000 0.944 507 Q CB 0.730 29.456 28.738 -0.021 0.000 1.104 507 Q HN 0.194 nan 8.270 nan 0.000 0.531 508 I N 3.470 123.807 120.570 -0.388 0.000 2.472 508 I HA 0.264 4.433 4.170 -0.001 0.000 0.290 508 I C -1.991 173.883 176.117 -0.405 0.000 1.016 508 I CA -2.211 58.688 61.300 -0.668 0.000 1.348 508 I CB 1.271 39.099 38.000 -0.287 0.000 1.417 508 I HN 0.094 nan 8.210 nan 0.000 0.521 509 P HA 0.104 nan 4.420 nan 0.000 0.284 509 P C 0.118 177.397 177.300 -0.035 0.000 1.343 509 P CA -0.389 62.621 63.100 -0.149 0.000 0.826 509 P CB 1.329 32.973 31.700 -0.094 0.000 0.956 510 Q N 3.452 123.241 119.800 -0.019 0.000 2.208 510 Q HA -0.262 4.077 4.340 -0.001 0.000 0.219 510 Q C 1.812 177.870 176.000 0.097 0.000 1.027 510 Q CA 2.743 58.574 55.803 0.047 0.000 0.925 510 Q CB -0.462 28.287 28.738 0.018 0.000 1.006 510 Q HN 0.670 nan 8.270 nan 0.000 0.415 511 K N -0.049 120.388 120.400 0.063 0.000 2.152 511 K HA -0.157 4.163 4.320 -0.001 0.000 0.206 511 K C 1.708 178.358 176.600 0.083 0.000 1.048 511 K CA 1.669 57.996 56.287 0.066 0.000 0.933 511 K CB -0.167 32.361 32.500 0.048 0.000 0.721 511 K HN 0.279 nan 8.250 nan 0.000 0.447 512 E N 0.394 120.657 120.200 0.104 0.000 2.021 512 E HA -0.156 4.194 4.350 -0.001 0.000 0.189 512 E C 1.827 178.508 176.600 0.134 0.000 0.980 512 E CA 0.987 57.461 56.400 0.123 0.000 0.803 512 E CB -0.341 29.467 29.700 0.180 0.000 0.766 512 E HN 0.424 nan 8.360 nan 0.000 0.449 513 W N 2.520 123.828 121.300 0.013 0.000 2.359 513 W HA -0.212 4.447 4.660 -0.001 0.000 0.275 513 W C 1.713 178.237 176.519 0.008 0.000 1.217 513 W CA 1.717 59.069 57.345 0.012 0.000 1.196 513 W CB 0.060 29.510 29.460 -0.016 0.000 1.129 513 W HN 0.097 nan 8.180 nan 0.000 0.566 514 D N -0.077 120.449 120.400 0.210 0.000 2.084 514 D HA -0.205 4.434 4.640 -0.001 0.000 0.199 514 D C 1.979 178.273 176.300 -0.010 0.000 0.981 514 D CA 1.468 55.541 54.000 0.122 0.000 0.841 514 D CB -0.490 40.381 40.800 0.119 0.000 0.997 514 D HN -0.022 nan 8.370 nan 0.000 0.454 515 K N 0.268 120.671 120.400 0.004 0.000 2.589 515 K HA -0.085 4.234 4.320 -0.001 0.000 0.195 515 K C 1.219 177.776 176.600 -0.072 0.000 1.042 515 K CA 0.515 56.790 56.287 -0.021 0.000 0.940 515 K CB 0.157 32.660 32.500 0.005 0.000 0.776 515 K HN 0.080 nan 8.250 nan 0.000 0.487 516 V N 0.111 119.936 119.914 -0.148 0.000 2.627 516 V HA -0.133 3.986 4.120 -0.001 0.000 0.239 516 V C 2.172 178.098 176.094 -0.280 0.000 1.077 516 V CA 1.078 63.245 62.300 -0.220 0.000 1.103 516 V CB 0.393 32.033 31.823 -0.306 0.000 0.802 516 V HN 0.305 nan 8.190 nan 0.000 0.482 517 V N -0.682 118.981 119.914 -0.419 0.000 2.626 517 V HA -0.097 4.022 4.120 -0.001 0.000 0.252 517 V C 1.158 177.146 176.094 -0.175 0.000 1.067 517 V CA 1.833 63.914 62.300 -0.365 0.000 1.081 517 V CB -1.417 30.119 31.823 -0.478 0.000 0.686 517 V HN 0.672 nan 8.190 nan 0.000 0.468 518 N N 1.545 120.170 118.700 -0.125 0.000 2.906 518 N HA 0.097 4.837 4.740 -0.001 0.000 0.282 518 N C 0.124 175.596 175.510 -0.063 0.000 1.293 518 N CA 0.302 53.313 53.050 -0.065 0.000 1.059 518 N CB -0.005 38.459 38.487 -0.038 0.000 1.388 518 N HN 0.568 nan 8.380 nan 0.000 0.533 519 T N 0.188 114.695 114.554 -0.077 0.000 2.885 519 T HA 0.311 4.660 4.350 -0.001 0.000 0.285 519 T C -1.382 173.289 174.700 -0.049 0.000 1.019 519 T CA -2.086 59.975 62.100 -0.064 0.000 1.010 519 T CB 1.682 70.502 68.868 -0.080 0.000 1.022 519 T HN 0.046 nan 8.240 nan 0.000 0.466 520 P HA 0.042 nan 4.420 nan 0.000 0.216 520 P C 0.147 177.429 177.300 -0.030 0.000 1.156 520 P CA 0.326 63.410 63.100 -0.027 0.000 0.855 520 P CB 0.124 31.812 31.700 -0.020 0.000 0.786 521 N N 1.222 119.900 118.700 -0.036 0.000 2.406 521 N HA 0.036 4.776 4.740 -0.001 0.000 0.274 521 N C 1.101 176.584 175.510 -0.045 0.000 1.249 521 N CA 0.224 53.251 53.050 -0.040 0.000 0.951 521 N CB 0.696 39.157 38.487 -0.043 0.000 1.241 521 N HN 0.093 nan 8.380 nan 0.000 0.485 522 S N 2.095 117.772 115.700 -0.038 0.000 2.359 522 S HA -0.185 4.285 4.470 -0.001 0.000 0.224 522 S C 1.797 176.373 174.600 -0.039 0.000 1.035 522 S CA 0.749 58.928 58.200 -0.035 0.000 1.018 522 S CB -0.013 63.173 63.200 -0.023 0.000 0.876 522 S HN 0.511 nan 8.310 nan 0.000 0.448 523 L N 1.755 122.952 121.223 -0.045 0.000 2.291 523 L HA 0.085 4.425 4.340 -0.001 0.000 0.214 523 L C 2.135 178.977 176.870 -0.047 0.000 1.120 523 L CA 1.511 56.323 54.840 -0.046 0.000 0.799 523 L CB -0.552 41.468 42.059 -0.065 0.000 0.925 523 L HN 0.382 nan 8.230 nan 0.000 0.446 524 E N -0.710 119.460 120.200 -0.051 0.000 2.122 524 E HA -0.212 4.138 4.350 -0.001 0.000 0.190 524 E C 2.210 178.773 176.600 -0.061 0.000 0.977 524 E CA 0.658 57.027 56.400 -0.051 0.000 0.820 524 E CB -0.119 29.551 29.700 -0.050 0.000 0.770 524 E HN 0.432 nan 8.360 nan 0.000 0.462 525 K N 0.720 121.079 120.400 -0.069 0.000 2.020 525 K HA -0.327 3.993 4.320 -0.001 0.000 0.212 525 K C 2.354 178.902 176.600 -0.086 0.000 1.050 525 K CA 2.110 58.339 56.287 -0.096 0.000 0.929 525 K CB -0.193 32.253 32.500 -0.090 0.000 0.714 525 K HN 0.190 nan 8.250 nan 0.000 0.443 526 Q N 0.753 120.523 119.800 -0.051 0.000 2.029 526 Q HA -0.256 4.083 4.340 -0.001 0.000 0.209 526 Q C 1.954 177.940 176.000 -0.024 0.000 0.999 526 Q CA 2.208 57.995 55.803 -0.025 0.000 0.857 526 Q CB -0.010 28.722 28.738 -0.009 0.000 0.926 526 Q HN 0.252 nan 8.270 nan 0.000 0.415 527 K N -0.694 119.690 120.400 -0.028 0.000 1.971 527 K HA -0.197 4.123 4.320 -0.001 0.000 0.221 527 K C 2.063 178.645 176.600 -0.031 0.000 1.050 527 K CA 1.380 57.654 56.287 -0.022 0.000 0.967 527 K CB -0.878 31.606 32.500 -0.027 0.000 0.733 527 K HN 0.478 nan 8.250 nan 0.000 0.445 528 G N 0.884 109.652 108.800 -0.054 0.000 2.728 528 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.224 528 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.224 528 G C 1.496 176.350 174.900 -0.076 0.000 1.123 528 G CA 1.745 46.800 45.100 -0.074 0.000 0.755 528 G HN 0.196 nan 8.290 nan 0.000 0.622 529 V N 0.419 120.282 119.914 -0.085 0.000 2.231 529 V HA -0.154 3.965 4.120 -0.001 0.000 0.240 529 V C 3.078 179.210 176.094 0.063 0.000 1.039 529 V CA 2.462 64.742 62.300 -0.034 0.000 0.998 529 V CB -1.177 30.637 31.823 -0.014 0.000 0.639 529 V HN 0.441 nan 8.190 nan 0.000 0.451 530 T N 0.784 115.368 114.554 0.050 0.000 2.649 530 T HA -0.279 4.070 4.350 -0.001 0.000 0.268 530 T C 1.804 176.541 174.700 0.061 0.000 1.036 530 T CA 2.042 64.180 62.100 0.062 0.000 1.157 530 T CB -0.508 68.385 68.868 0.041 0.000 0.861 530 T HN 0.400 nan 8.240 nan 0.000 0.445 531 N N 0.976 119.698 118.700 0.036 0.000 2.104 531 N HA -0.007 4.732 4.740 -0.001 0.000 0.190 531 N C 1.939 177.480 175.510 0.052 0.000 1.024 531 N CA 0.904 53.968 53.050 0.024 0.000 0.853 531 N CB -0.582 37.906 38.487 0.002 0.000 1.008 531 N HN 0.348 nan 8.380 nan 0.000 0.424 532 L N 1.015 122.303 121.223 0.109 0.000 1.970 532 L HA -0.155 4.184 4.340 -0.001 0.000 0.212 532 L C 2.439 179.464 176.870 0.258 0.000 1.071 532 L CA 0.920 55.904 54.840 0.239 0.000 0.751 532 L CB -0.496 41.755 42.059 0.320 0.000 0.889 532 L HN 0.237 nan 8.230 nan 0.000 0.432 533 L N 0.015 121.367 121.223 0.214 0.000 2.079 533 L HA -0.261 4.079 4.340 -0.001 0.000 0.210 533 L C 2.404 179.359 176.870 0.141 0.000 1.081 533 L CA 1.920 56.869 54.840 0.181 0.000 0.752 533 L CB -0.407 41.744 42.059 0.153 0.000 0.896 533 L HN 0.269 nan 8.230 nan 0.000 0.433 534 I N 0.079 120.708 120.570 0.098 0.000 2.110 534 I HA -0.341 3.828 4.170 -0.001 0.000 0.236 534 I C 2.630 178.769 176.117 0.035 0.000 1.068 534 I CA 1.454 62.788 61.300 0.057 0.000 1.333 534 I CB -0.383 37.629 38.000 0.020 0.000 1.054 534 I HN 0.277 nan 8.210 nan 0.000 0.402 535 K N 0.938 121.325 120.400 -0.022 0.000 1.975 535 K HA -0.270 4.050 4.320 -0.001 0.000 0.225 535 K C 2.030 178.560 176.600 -0.117 0.000 1.050 535 K CA 2.233 58.431 56.287 -0.148 0.000 0.992 535 K CB -0.537 31.769 32.500 -0.324 0.000 0.738 535 K HN 0.158 nan 8.250 nan 0.000 0.446 536 Y N -0.533 119.828 120.300 0.102 0.000 2.688 536 Y HA 0.028 4.578 4.550 -0.001 0.000 0.311 536 Y C 1.719 177.716 175.900 0.161 0.000 1.185 536 Y CA 0.852 59.026 58.100 0.124 0.000 1.336 536 Y CB 0.218 38.738 38.460 0.100 0.000 1.015 536 Y HN 0.461 nan 8.280 nan 0.000 0.522 537 G N -2.089 106.873 108.800 0.270 0.000 2.293 537 G HA2 0.074 4.034 3.960 -0.001 0.000 0.180 537 G HA3 0.074 4.034 3.960 -0.001 0.000 0.180 537 G C 1.098 176.220 174.900 0.370 0.000 1.517 537 G CA 0.027 45.302 45.100 0.291 0.000 0.645 537 G HN 0.286 nan 8.290 nan 0.000 1.119 538 I N 0.765 121.468 120.570 0.220 0.000 3.081 538 I HA 0.196 4.366 4.170 -0.001 0.000 0.274 538 I C 1.052 177.164 176.117 -0.008 0.000 1.178 538 I CA 0.046 61.434 61.300 0.147 0.000 1.460 538 I CB 0.379 38.418 38.000 0.064 0.000 1.137 538 I HN 0.096 nan 8.210 nan 0.000 0.443 539 E N 2.850 123.051 120.200 0.001 0.000 2.415 539 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 539 E C -0.403 176.147 176.600 -0.084 0.000 0.995 539 E CA 0.090 56.447 56.400 -0.071 0.000 0.915 539 E CB 0.565 30.227 29.700 -0.063 0.000 0.951 539 E HN 0.178 nan 8.360 nan 0.000 0.449 540 R N 3.401 123.813 120.500 -0.146 0.000 2.513 540 R HA 0.359 4.698 4.340 -0.001 0.000 0.301 540 R C -0.684 175.543 176.300 -0.123 0.000 0.968 540 R CA -0.911 55.102 56.100 -0.145 0.000 0.872 540 R CB 1.487 31.670 30.300 -0.194 0.000 1.177 540 R HN 0.315 nan 8.270 nan 0.000 0.444 541 K N 2.831 123.172 120.400 -0.099 0.000 2.166 541 K HA 0.489 4.809 4.320 -0.001 0.000 0.245 541 K C -2.456 174.098 176.600 -0.077 0.000 0.967 541 K CA -2.109 54.129 56.287 -0.081 0.000 0.863 541 K CB 1.585 34.047 32.500 -0.062 0.000 1.107 541 K HN 0.370 nan 8.250 nan 0.000 0.436 542 P HA 0.229 nan 4.420 nan 0.000 0.294 542 P C -0.997 176.280 177.300 -0.039 0.000 1.294 542 P CA -0.247 62.821 63.100 -0.054 0.000 0.827 542 P CB 1.229 32.900 31.700 -0.049 0.000 0.992 543 D N 0.937 121.318 120.400 -0.032 0.000 2.481 543 D HA 0.121 4.760 4.640 -0.001 0.000 0.244 543 D C 1.325 177.621 176.300 -0.007 0.000 1.057 543 D CA -0.396 53.592 54.000 -0.021 0.000 0.848 543 D CB 2.142 42.927 40.800 -0.025 0.000 1.388 543 D HN 0.259 nan 8.370 nan 0.000 0.475 544 S N 1.353 117.053 115.700 0.000 0.000 2.419 544 S HA -0.184 4.286 4.470 -0.001 0.000 0.235 544 S C 1.564 176.172 174.600 0.014 0.000 1.019 544 S CA 2.017 60.225 58.200 0.013 0.000 0.982 544 S CB -0.369 62.841 63.200 0.017 0.000 0.789 544 S HN 0.637 nan 8.310 nan 0.000 0.490 545 T N 0.050 114.605 114.554 0.003 0.000 3.082 545 T HA 0.250 4.599 4.350 -0.001 0.000 0.235 545 T C 1.157 175.854 174.700 -0.005 0.000 0.991 545 T CA -0.058 62.039 62.100 -0.005 0.000 1.220 545 T CB -0.487 68.376 68.868 -0.009 0.000 0.909 545 T HN 0.329 nan 8.240 nan 0.000 0.424 546 K N 2.343 122.738 120.400 -0.007 0.000 2.745 546 K HA 0.476 4.796 4.320 -0.001 0.000 0.223 546 K C 1.207 177.823 176.600 0.027 0.000 1.057 546 K CA 0.041 56.330 56.287 0.003 0.000 1.217 546 K CB -0.312 32.173 32.500 -0.024 0.000 0.993 546 K HN 0.640 nan 8.250 nan 0.000 0.478 547 G N 1.065 109.881 108.800 0.028 0.000 2.564 547 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.273 547 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.273 547 G C -0.349 174.535 174.900 -0.026 0.000 1.242 547 G CA -0.211 44.895 45.100 0.010 0.000 0.951 547 G HN 0.275 nan 8.290 nan 0.000 0.564 548 T N 1.513 116.036 114.554 -0.053 0.000 2.771 548 T HA 0.661 5.011 4.350 -0.001 0.000 0.281 548 T C 0.274 174.916 174.700 -0.096 0.000 0.982 548 T CA 0.411 62.465 62.100 -0.077 0.000 0.978 548 T CB 1.068 69.879 68.868 -0.094 0.000 0.930 548 T HN 1.573 nan 8.240 nan 0.000 0.447 549 L N -0.493 120.663 121.223 -0.111 0.000 2.892 549 L HA 0.842 5.182 4.340 -0.001 0.000 0.269 549 L C -0.570 176.191 176.870 -0.181 0.000 1.058 549 L CA -1.172 53.575 54.840 -0.154 0.000 0.923 549 L CB 1.599 43.555 42.059 -0.172 0.000 1.518 549 L HN 0.501 nan 8.230 nan 0.000 0.402 550 S N -0.317 115.213 115.700 -0.284 0.000 2.632 550 S HA 0.339 4.809 4.470 -0.001 0.000 0.267 550 S C 0.628 175.059 174.600 -0.282 0.000 1.276 550 S CA -0.029 57.988 58.200 -0.305 0.000 0.998 550 S CB 0.828 63.705 63.200 -0.538 0.000 0.953 550 S HN 0.862 nan 8.310 nan 0.000 0.547 551 N N 1.086 119.716 118.700 -0.117 0.000 2.142 551 N HA -0.062 4.678 4.740 -0.001 0.000 0.186 551 N C 1.776 177.292 175.510 0.010 0.000 1.023 551 N CA 1.515 54.554 53.050 -0.019 0.000 0.852 551 N CB -0.196 38.340 38.487 0.083 0.000 0.998 551 N HN 0.866 nan 8.380 nan 0.000 0.424 552 W N 1.665 122.999 121.300 0.057 0.000 2.381 552 W HA -0.085 4.574 4.660 -0.001 0.000 0.301 552 W C 1.368 177.910 176.519 0.037 0.000 1.205 552 W CA 0.471 57.847 57.345 0.052 0.000 1.285 552 W CB -0.897 28.602 29.460 0.064 0.000 1.133 552 W HN 0.085 nan 8.180 nan 0.000 0.521 553 Q N 1.303 120.410 119.800 -1.155 0.000 2.173 553 Q HA -0.273 4.067 4.340 -0.001 0.000 0.208 553 Q C 2.297 178.066 176.000 -0.385 0.000 0.989 553 Q CA 2.606 57.764 55.803 -1.076 0.000 0.872 553 Q CB -0.414 27.703 28.738 -1.034 0.000 0.909 553 Q HN 0.450 nan 8.270 nan 0.000 0.420 554 K N 1.036 121.286 120.400 -0.250 0.000 1.984 554 K HA -0.239 4.080 4.320 -0.001 0.000 0.209 554 K C 2.273 178.848 176.600 -0.041 0.000 1.046 554 K CA 1.631 57.848 56.287 -0.117 0.000 0.934 554 K CB -0.119 32.335 32.500 -0.076 0.000 0.717 554 K HN 0.245 nan 8.250 nan 0.000 0.438 555 Q N 0.496 120.306 119.800 0.016 0.000 2.133 555 Q HA -0.285 4.055 4.340 -0.001 0.000 0.208 555 Q C 2.108 178.150 176.000 0.070 0.000 0.991 555 Q CA 2.266 58.107 55.803 0.063 0.000 0.867 555 Q CB -0.498 28.310 28.738 0.116 0.000 0.911 555 Q HN 0.371 nan 8.270 nan 0.000 0.417 556 M N 0.424 120.084 119.600 0.100 0.000 2.108 556 M HA -0.108 4.371 4.480 -0.001 0.000 0.261 556 M C 1.804 178.121 176.300 0.029 0.000 1.066 556 M CA 1.394 56.759 55.300 0.108 0.000 1.107 556 M CB -0.345 32.362 32.600 0.178 0.000 1.356 556 M HN 0.346 nan 8.290 nan 0.000 0.406 557 L N 0.499 121.707 121.223 -0.026 0.000 2.012 557 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 557 L C 1.794 178.655 176.870 -0.014 0.000 1.073 557 L CA 2.112 56.925 54.840 -0.045 0.000 0.748 557 L CB -0.973 41.040 42.059 -0.077 0.000 0.891 557 L HN 0.341 nan 8.230 nan 0.000 0.431 558 D N -1.255 119.142 120.400 -0.004 0.000 2.097 558 D HA -0.130 4.510 4.640 -0.001 0.000 0.195 558 D C 2.263 178.566 176.300 0.004 0.000 0.989 558 D CA 0.829 54.829 54.000 0.000 0.000 0.827 558 D CB -0.140 40.665 40.800 0.007 0.000 0.966 558 D HN 0.069 nan 8.370 nan 0.000 0.456 559 R N 0.297 120.811 120.500 0.022 0.000 2.193 559 R HA -0.023 4.316 4.340 -0.001 0.000 0.229 559 R C 2.120 178.457 176.300 0.060 0.000 1.110 559 R CA 0.172 56.287 56.100 0.025 0.000 0.988 559 R CB -0.582 29.751 30.300 0.055 0.000 0.871 559 R HN 0.304 nan 8.270 nan 0.000 0.458 560 L N 0.902 122.175 121.223 0.084 0.000 2.056 560 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 560 L C 1.763 178.784 176.870 0.252 0.000 1.078 560 L CA 1.544 56.496 54.840 0.185 0.000 0.749 560 L CB -0.700 41.390 42.059 0.052 0.000 0.901 560 L HN 0.222 nan 8.230 nan 0.000 0.433 561 N N 0.259 119.016 118.700 0.095 0.000 2.132 561 N HA -0.203 4.536 4.740 -0.001 0.000 0.187 561 N C 1.616 177.090 175.510 -0.060 0.000 1.038 561 N CA 1.235 54.300 53.050 0.024 0.000 0.846 561 N CB -0.250 38.234 38.487 -0.004 0.000 1.012 561 N HN 0.425 nan 8.380 nan 0.000 0.429 562 E N 1.135 121.254 120.200 -0.135 0.000 2.393 562 E HA -0.123 4.226 4.350 -0.001 0.000 0.201 562 E C 1.498 177.759 176.600 -0.566 0.000 1.025 562 E CA 0.981 57.140 56.400 -0.401 0.000 0.856 562 E CB 0.055 29.510 29.700 -0.408 0.000 0.771 562 E HN 0.307 nan 8.360 nan 0.000 0.526 563 A N 1.062 123.753 122.820 -0.214 0.000 1.878 563 A HA -0.002 4.318 4.320 -0.001 0.000 0.213 563 A C 2.127 179.672 177.584 -0.065 0.000 1.192 563 A CA 0.908 52.882 52.037 -0.105 0.000 0.619 563 A CB -0.327 18.716 19.000 0.072 0.000 0.837 563 A HN 0.384 nan 8.150 nan 0.000 0.446 564 V N -2.732 117.143 119.914 -0.065 0.000 3.416 564 V HA 0.336 4.456 4.120 -0.001 0.000 0.334 564 V C 0.920 177.035 176.094 0.034 0.000 1.271 564 V CA 1.150 63.400 62.300 -0.084 0.000 1.274 564 V CB -0.619 30.969 31.823 -0.392 0.000 1.153 564 V HN 0.481 nan 8.190 nan 0.000 0.433 565 K N -0.605 119.828 120.400 0.055 0.000 2.443 565 K HA 0.320 4.640 4.320 -0.001 0.000 0.200 565 K C 0.960 177.749 176.600 0.315 0.000 1.278 565 K CA -0.127 56.268 56.287 0.180 0.000 0.925 565 K CB 0.405 32.978 32.500 0.121 0.000 1.225 565 K HN 0.569 nan 8.250 nan 0.000 0.514 566 Y N 0.604 120.949 120.300 0.074 0.000 2.581 566 Y HA -0.011 4.539 4.550 -0.001 0.000 0.346 566 Y C 1.526 177.457 175.900 0.052 0.000 1.147 566 Y CA -0.276 57.858 58.100 0.055 0.000 1.353 566 Y CB 0.484 38.974 38.460 0.050 0.000 1.187 566 Y HN 0.140 nan 8.280 nan 0.000 0.505 567 T N -1.682 112.999 114.554 0.212 0.000 3.221 567 T HA 0.313 4.662 4.350 -0.001 0.000 0.250 567 T C 1.293 176.063 174.700 0.117 0.000 0.988 567 T CA 0.910 63.092 62.100 0.137 0.000 1.163 567 T CB 0.493 69.434 68.868 0.122 0.000 1.098 567 T HN 0.372 nan 8.240 nan 0.000 0.422 568 G N 0.261 109.154 108.800 0.154 0.000 4.553 568 G HA2 0.102 4.062 3.960 -0.001 0.000 0.222 568 G HA3 0.102 4.062 3.960 -0.001 0.000 0.222 568 G C -0.788 174.207 174.900 0.159 0.000 0.795 568 G CA -0.458 44.713 45.100 0.118 0.000 1.181 568 G HN 0.444 nan 8.290 nan 0.000 0.766 569 Y N 2.388 122.738 120.300 0.082 0.000 2.313 569 Y HA 0.531 5.081 4.550 -0.001 0.000 0.332 569 Y C 1.002 176.922 175.900 0.034 0.000 1.071 569 Y CA 0.316 58.455 58.100 0.066 0.000 1.169 569 Y CB 1.908 40.397 38.460 0.048 0.000 1.192 569 Y HN 0.161 nan 8.280 nan 0.000 0.487 570 T N 0.891 115.119 114.554 -0.544 0.000 3.533 570 T HA 0.348 4.697 4.350 -0.001 0.000 0.275 570 T C 0.570 174.958 174.700 -0.520 0.000 1.000 570 T CA 0.065 61.944 62.100 -0.368 0.000 1.015 570 T CB -0.363 68.379 68.868 -0.210 0.000 1.153 570 T HN 0.757 nan 8.240 nan 0.000 0.504 571 G N -0.753 107.472 108.800 -0.959 0.000 3.528 571 G HA2 0.586 4.545 3.960 -0.001 0.000 0.266 571 G HA3 0.586 4.545 3.960 -0.001 0.000 0.266 571 G C 0.857 175.674 174.900 -0.138 0.000 1.004 571 G CA -0.047 44.696 45.100 -0.594 0.000 0.853 571 G HN 1.116 nan 8.290 nan 0.000 0.501 572 G N 0.505 109.290 108.800 -0.025 0.000 3.035 572 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.242 572 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.242 572 G C -0.814 174.219 174.900 0.221 0.000 1.524 572 G CA 0.004 45.171 45.100 0.112 0.000 1.038 572 G HN 0.437 nan 8.290 nan 0.000 0.561 573 D N -0.867 119.612 120.400 0.132 0.000 2.340 573 D HA 0.629 5.268 4.640 -0.001 0.000 0.240 573 D C 0.589 176.823 176.300 -0.110 0.000 1.001 573 D CA 0.097 54.103 54.000 0.010 0.000 0.888 573 D CB 2.738 43.520 40.800 -0.031 0.000 1.310 573 D HN 0.598 nan 8.370 nan 0.000 0.474 574 V N 1.400 121.151 119.914 -0.271 0.000 3.604 574 V HA 0.222 4.341 4.120 -0.001 0.000 0.277 574 V C -0.623 175.295 176.094 -0.294 0.000 1.399 574 V CA 0.420 62.425 62.300 -0.491 0.000 1.034 574 V CB 0.759 32.023 31.823 -0.932 0.000 0.824 574 V HN 0.324 nan 8.190 nan 0.000 0.439 575 V N 1.772 121.613 119.914 -0.121 0.000 2.325 575 V HA 0.375 4.494 4.120 -0.001 0.000 0.280 575 V C 0.508 176.500 176.094 -0.171 0.000 1.016 575 V CA -0.124 62.133 62.300 -0.073 0.000 0.818 575 V CB 1.042 32.872 31.823 0.013 0.000 1.019 575 V HN 0.475 nan 8.190 nan 0.000 0.434 576 N N 2.447 120.950 118.700 -0.328 0.000 2.349 576 N HA 0.073 4.813 4.740 -0.001 0.000 0.180 576 N C 0.261 175.588 175.510 -0.305 0.000 1.024 576 N CA 0.424 53.269 53.050 -0.343 0.000 0.869 576 N CB 0.250 38.507 38.487 -0.383 0.000 1.022 576 N HN 0.836 nan 8.380 nan 0.000 0.433 577 H N -1.050 117.988 119.070 -0.052 0.000 2.960 577 H HA 0.642 5.197 4.556 -0.001 0.000 0.302 577 H C 0.487 175.758 175.328 -0.096 0.000 1.515 577 H CA -1.108 54.900 56.048 -0.066 0.000 1.431 577 H CB -0.294 29.438 29.762 -0.051 0.000 1.890 577 H HN -0.037 nan 8.280 nan 0.000 0.762 578 G N -0.732 108.132 108.800 0.106 0.000 2.653 578 G HA2 0.360 4.320 3.960 -0.001 0.000 0.265 578 G HA3 0.360 4.320 3.960 -0.001 0.000 0.265 578 G C -0.244 174.635 174.900 -0.036 0.000 1.237 578 G CA -0.202 44.879 45.100 -0.031 0.000 0.946 578 G HN 0.938 nan 8.290 nan 0.000 0.522 579 T N -1.922 112.561 114.554 -0.118 0.000 2.834 579 T HA 0.188 4.537 4.350 -0.001 0.000 0.298 579 T C 1.159 175.749 174.700 -0.185 0.000 0.966 579 T CA 0.212 62.223 62.100 -0.148 0.000 1.141 579 T CB 1.494 70.242 68.868 -0.199 0.000 0.905 579 T HN 0.650 nan 8.240 nan 0.000 0.535 580 E N 1.894 121.979 120.200 -0.192 0.000 2.433 580 E HA -0.304 4.045 4.350 -0.001 0.000 0.209 580 E C 1.626 178.029 176.600 -0.328 0.000 1.065 580 E CA 1.513 57.767 56.400 -0.242 0.000 0.863 580 E CB -0.400 29.170 29.700 -0.217 0.000 0.772 580 E HN 0.667 nan 8.360 nan 0.000 0.524 581 Q N -0.000 119.591 119.800 -0.348 0.000 2.436 581 Q HA -0.054 4.285 4.340 -0.001 0.000 0.209 581 Q C 0.665 176.538 176.000 -0.212 0.000 0.965 581 Q CA 1.058 56.662 55.803 -0.331 0.000 0.910 581 Q CB 0.209 28.741 28.738 -0.343 0.000 0.980 581 Q HN 0.513 nan 8.270 nan 0.000 0.491 582 D N -0.635 119.654 120.400 -0.185 0.000 2.398 582 D HA -0.013 4.627 4.640 -0.001 0.000 0.210 582 D C 0.191 176.371 176.300 -0.200 0.000 1.094 582 D CA -0.087 53.808 54.000 -0.176 0.000 0.839 582 D CB 0.166 40.887 40.800 -0.131 0.000 0.963 582 D HN 0.228 nan 8.370 nan 0.000 0.506 583 N N 2.068 120.637 118.700 -0.219 0.000 3.117 583 N HA -0.055 4.684 4.740 -0.001 0.000 0.323 583 N C 0.781 176.160 175.510 -0.219 0.000 1.245 583 N CA 0.111 53.049 53.050 -0.187 0.000 1.191 583 N CB 0.221 38.604 38.487 -0.174 0.000 1.451 583 N HN 0.240 nan 8.380 nan 0.000 0.555 584 E N 0.117 120.179 120.200 -0.231 0.000 2.153 584 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 584 E C 1.282 177.724 176.600 -0.263 0.000 0.988 584 E CA 0.869 57.112 56.400 -0.261 0.000 0.811 584 E CB 0.283 29.841 29.700 -0.237 0.000 0.746 584 E HN 0.516 nan 8.360 nan 0.000 0.466 585 E N 0.120 120.170 120.200 -0.250 0.000 2.001 585 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 585 E C 0.537 176.746 176.600 -0.652 0.000 0.994 585 E CA 0.976 57.122 56.400 -0.423 0.000 0.815 585 E CB -0.080 29.457 29.700 -0.271 0.000 0.770 585 E HN 0.215 nan 8.360 nan 0.000 0.453 586 F N 1.802 121.675 119.950 -0.128 0.000 2.664 586 F HA 0.264 4.791 4.527 -0.001 0.000 0.322 586 F C -2.144 173.587 175.800 -0.116 0.000 1.324 586 F CA -2.406 55.527 58.000 -0.112 0.000 1.154 586 F CB 0.653 39.586 39.000 -0.111 0.000 1.236 586 F HN -0.128 nan 8.300 nan 0.000 0.532 587 P HA 0.043 nan 4.420 nan 0.000 0.268 587 P C -0.271 177.018 177.300 -0.018 0.000 1.205 587 P CA 0.287 63.342 63.100 -0.075 0.000 0.771 587 P CB 1.464 33.062 31.700 -0.171 0.000 0.858 588 E N 1.912 122.113 120.200 0.002 0.000 2.299 588 E HA 0.390 4.739 4.350 -0.001 0.000 0.260 588 E C -0.496 176.098 176.600 -0.010 0.000 0.944 588 E CA -1.008 55.399 56.400 0.011 0.000 0.815 588 E CB 1.966 31.694 29.700 0.046 0.000 1.252 588 E HN 0.397 nan 8.360 nan 0.000 0.418 589 K N 1.789 122.153 120.400 -0.059 0.000 2.572 589 K HA 0.197 4.517 4.320 -0.001 0.000 0.244 589 K C -1.324 175.319 176.600 0.072 0.000 0.965 589 K CA -0.353 55.823 56.287 -0.184 0.000 0.943 589 K CB 0.665 32.886 32.500 -0.466 0.000 1.154 589 K HN 0.322 nan 8.250 nan 0.000 0.447 590 D N 3.011 123.602 120.400 0.320 0.000 2.177 590 D HA 0.126 4.765 4.640 -0.001 0.000 0.247 590 D C 0.444 176.976 176.300 0.387 0.000 1.063 590 D CA -0.411 53.775 54.000 0.310 0.000 0.867 590 D CB 1.595 42.579 40.800 0.307 0.000 1.168 590 D HN 0.530 nan 8.370 nan 0.000 0.445 591 N N 1.531 120.384 118.700 0.254 0.000 2.047 591 N HA -0.107 4.633 4.740 -0.001 0.000 0.193 591 N C 0.044 175.650 175.510 0.159 0.000 1.055 591 N CA 0.871 54.059 53.050 0.229 0.000 0.847 591 N CB 0.018 38.594 38.487 0.149 0.000 1.038 591 N HN 0.510 nan 8.380 nan 0.000 0.427 592 E N 1.081 121.350 120.200 0.116 0.000 2.220 592 E HA 0.154 4.503 4.350 -0.001 0.000 0.272 592 E C -0.421 176.219 176.600 0.068 0.000 1.099 592 E CA 0.104 56.548 56.400 0.073 0.000 0.907 592 E CB 0.716 30.462 29.700 0.075 0.000 1.022 592 E HN 0.178 nan 8.360 nan 0.000 0.428 593 I N 3.735 124.295 120.570 -0.016 0.000 2.433 593 I HA 0.246 4.416 4.170 -0.001 0.000 0.292 593 I C -0.458 175.635 176.117 -0.040 0.000 1.001 593 I CA -0.857 60.401 61.300 -0.070 0.000 1.119 593 I CB 0.964 38.754 38.000 -0.350 0.000 1.289 593 I HN 0.442 nan 8.210 nan 0.000 0.438 594 F N 7.145 127.036 119.950 -0.099 0.000 2.411 594 F HA 0.587 5.114 4.527 -0.001 0.000 0.350 594 F C -0.153 175.605 175.800 -0.070 0.000 1.114 594 F CA -0.164 57.784 58.000 -0.087 0.000 1.135 594 F CB 0.672 39.636 39.000 -0.059 0.000 1.120 594 F HN 0.255 nan 8.300 nan 0.000 0.495 595 I N 6.102 126.321 120.570 -0.586 0.000 3.067 595 I HA 0.460 4.629 4.170 -0.001 0.000 0.312 595 I C -0.769 175.002 176.117 -0.575 0.000 1.073 595 I CA -1.014 60.047 61.300 -0.398 0.000 1.016 595 I CB 2.435 40.189 38.000 -0.410 0.000 1.227 595 I HN 0.393 nan 8.210 nan 0.000 0.456 596 I N 3.092 123.516 120.570 -0.243 0.000 2.649 596 I HA 0.093 4.263 4.170 -0.001 0.000 0.275 596 I C -0.717 175.306 176.117 -0.157 0.000 1.180 596 I CA -0.619 60.562 61.300 -0.199 0.000 1.049 596 I CB 0.991 38.921 38.000 -0.115 0.000 1.234 596 I HN 0.680 nan 8.210 nan 0.000 0.506 597 N N 6.502 125.067 118.700 -0.226 0.000 2.239 597 N HA -0.023 4.717 4.740 -0.001 0.000 0.225 597 N C -1.768 173.485 175.510 -0.429 0.000 1.283 597 N CA -0.621 52.082 53.050 -0.578 0.000 0.868 597 N CB -0.061 38.221 38.487 -0.342 0.000 1.098 597 N HN 0.248 nan 8.380 nan 0.000 0.436 598 P HA -0.092 nan 4.420 nan 0.000 0.239 598 P C 0.075 177.331 177.300 -0.072 0.000 1.184 598 P CA 1.010 64.006 63.100 -0.174 0.000 0.760 598 P CB 0.245 31.937 31.700 -0.015 0.000 0.884 599 E N -0.913 119.229 120.200 -0.096 0.000 2.415 599 E HA 0.130 4.479 4.350 -0.001 0.000 0.197 599 E C 1.652 178.254 176.600 0.003 0.000 1.007 599 E CA 0.758 57.140 56.400 -0.031 0.000 0.890 599 E CB -0.148 29.534 29.700 -0.031 0.000 0.891 599 E HN 0.288 nan 8.360 nan 0.000 0.496 600 G N 1.770 110.584 108.800 0.024 0.000 2.195 600 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.224 600 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.224 600 G C -0.026 174.967 174.900 0.154 0.000 0.990 600 G CA 0.068 45.235 45.100 0.111 0.000 0.639 600 G HN 0.307 nan 8.290 nan 0.000 0.514 601 E N 0.361 120.607 120.200 0.076 0.000 2.373 601 E HA 0.515 4.865 4.350 -0.001 0.000 0.267 601 E C 0.040 176.780 176.600 0.234 0.000 1.032 601 E CA -0.283 56.150 56.400 0.054 0.000 0.889 601 E CB 0.740 30.446 29.700 0.009 0.000 0.984 601 E HN 0.365 nan 8.360 nan 0.000 0.425 602 F N 2.068 121.950 119.950 -0.112 0.000 2.377 602 F HA 0.527 5.054 4.527 -0.001 0.000 0.328 602 F C 0.557 176.172 175.800 -0.308 0.000 1.094 602 F CA -0.944 56.900 58.000 -0.261 0.000 1.093 602 F CB 0.892 39.870 39.000 -0.037 0.000 1.214 602 F HN 0.176 nan 8.300 nan 0.000 0.518 603 I N 2.794 123.121 120.570 -0.404 0.000 2.775 603 I HA 0.280 4.449 4.170 -0.001 0.000 0.295 603 I C -1.637 174.244 176.117 -0.394 0.000 1.287 603 I CA -0.811 60.307 61.300 -0.304 0.000 1.029 603 I CB 2.750 40.584 38.000 -0.278 0.000 1.282 603 I HN 0.315 nan 8.210 nan 0.000 0.426 604 L N 5.507 126.636 121.223 -0.157 0.000 2.415 604 L HA 0.516 4.855 4.340 -0.001 0.000 0.268 604 L C 0.309 177.123 176.870 -0.093 0.000 0.984 604 L CA 0.082 54.886 54.840 -0.060 0.000 0.853 604 L CB 1.577 43.703 42.059 0.111 0.000 1.215 604 L HN 0.800 nan 8.230 nan 0.000 0.419 605 T N 1.034 115.486 114.554 -0.170 0.000 2.680 605 T HA 0.241 4.590 4.350 -0.001 0.000 0.314 605 T C 0.728 175.398 174.700 -0.049 0.000 1.045 605 T CA 0.178 62.195 62.100 -0.139 0.000 1.025 605 T CB 0.772 69.511 68.868 -0.215 0.000 1.000 605 T HN 0.778 nan 8.240 nan 0.000 0.535 606 K N -0.033 120.352 120.400 -0.026 0.000 2.436 606 K HA 0.252 4.572 4.320 -0.001 0.000 0.198 606 K C 0.374 176.996 176.600 0.037 0.000 1.174 606 K CA -0.291 56.004 56.287 0.012 0.000 0.951 606 K CB 0.405 32.913 32.500 0.013 0.000 1.040 606 K HN 0.458 nan 8.250 nan 0.000 0.536 607 N N -0.741 117.974 118.700 0.025 0.000 2.453 607 N HA 0.072 4.812 4.740 -0.001 0.000 0.290 607 N C -0.506 175.060 175.510 0.094 0.000 1.250 607 N CA -0.524 52.571 53.050 0.075 0.000 0.815 607 N CB 1.006 39.522 38.487 0.049 0.000 1.381 607 N HN 0.083 nan 8.380 nan 0.000 0.510 608 W N 1.215 122.525 121.300 0.017 0.000 2.425 608 W HA -0.100 4.560 4.660 -0.001 0.000 0.277 608 W C 0.419 176.930 176.519 -0.013 0.000 1.231 608 W CA 1.255 58.629 57.345 0.049 0.000 1.248 608 W CB 0.471 29.970 29.460 0.064 0.000 1.117 608 W HN 0.601 nan 8.180 nan 0.000 0.568 609 E N 0.220 120.375 120.200 -0.074 0.000 2.033 609 E HA -0.213 4.137 4.350 -0.001 0.000 0.189 609 E C 2.197 178.640 176.600 -0.262 0.000 0.979 609 E CA 1.588 57.863 56.400 -0.208 0.000 0.802 609 E CB -1.171 28.480 29.700 -0.082 0.000 0.763 609 E HN 0.143 nan 8.360 nan 0.000 0.449 610 M N 0.662 120.169 119.600 -0.155 0.000 2.108 610 M HA -0.248 4.232 4.480 -0.001 0.000 0.257 610 M C 1.605 177.806 176.300 -0.166 0.000 1.071 610 M CA 1.839 57.064 55.300 -0.125 0.000 1.093 610 M CB -0.263 32.296 32.600 -0.069 0.000 1.345 610 M HN 0.128 nan 8.290 nan 0.000 0.403 611 T N -0.003 114.397 114.554 -0.257 0.000 2.708 611 T HA -0.097 4.253 4.350 -0.001 0.000 0.266 611 T C 1.629 176.110 174.700 -0.365 0.000 1.037 611 T CA 1.529 63.432 62.100 -0.328 0.000 1.146 611 T CB -0.981 67.629 68.868 -0.430 0.000 0.865 611 T HN 0.697 nan 8.240 nan 0.000 0.435 612 G N 1.354 109.786 108.800 -0.613 0.000 2.459 612 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 612 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 612 G C 1.710 176.268 174.900 -0.570 0.000 1.183 612 G CA 0.652 45.190 45.100 -0.937 0.000 0.776 612 G HN 0.388 nan 8.290 nan 0.000 0.552 613 R N -0.771 119.496 120.500 -0.389 0.000 2.096 613 R HA -0.067 4.273 4.340 -0.001 0.000 0.240 613 R C 2.275 178.455 176.300 -0.199 0.000 1.139 613 R CA 1.521 57.461 56.100 -0.267 0.000 0.952 613 R CB -0.629 29.558 30.300 -0.189 0.000 0.854 613 R HN 0.412 nan 8.270 nan 0.000 0.436 614 F N 1.357 121.134 119.950 -0.289 0.000 2.000 614 F HA -0.277 4.250 4.527 -0.001 0.000 0.296 614 F C 2.071 177.686 175.800 -0.308 0.000 1.159 614 F CA 1.919 59.766 58.000 -0.256 0.000 1.183 614 F CB -0.352 38.508 39.000 -0.234 0.000 0.959 614 F HN -0.096 nan 8.300 nan 0.000 0.490 615 I N 0.277 120.890 120.570 0.072 0.000 2.290 615 I HA -0.378 3.792 4.170 -0.001 0.000 0.253 615 I C 2.202 178.129 176.117 -0.317 0.000 1.112 615 I CA 1.862 63.055 61.300 -0.178 0.000 1.377 615 I CB -0.753 37.073 38.000 -0.290 0.000 1.060 615 I HN 0.399 nan 8.210 nan 0.000 0.428 616 E N 0.590 120.603 120.200 -0.311 0.000 2.107 616 E HA -0.218 4.131 4.350 -0.001 0.000 0.191 616 E C 2.198 178.646 176.600 -0.253 0.000 0.982 616 E CA 0.908 57.139 56.400 -0.282 0.000 0.809 616 E CB 0.029 29.555 29.700 -0.290 0.000 0.756 616 E HN 0.461 nan 8.360 nan 0.000 0.459 617 K N 0.814 121.033 120.400 -0.303 0.000 2.067 617 K HA -0.049 4.271 4.320 -0.001 0.000 0.203 617 K C 1.122 177.511 176.600 -0.350 0.000 1.048 617 K CA 1.375 57.479 56.287 -0.306 0.000 0.954 617 K CB 0.168 32.463 32.500 -0.342 0.000 0.737 617 K HN -0.012 nan 8.250 nan 0.000 0.444 618 N N -0.273 118.115 118.700 -0.520 0.000 2.282 618 N HA 0.170 4.910 4.740 -0.001 0.000 0.185 618 N C 0.979 176.141 175.510 -0.580 0.000 1.099 618 N CA 0.292 53.032 53.050 -0.517 0.000 0.878 618 N CB 0.583 38.636 38.487 -0.723 0.000 0.993 618 N HN 0.173 nan 8.380 nan 0.000 0.481 619 I N -0.976 119.286 120.570 -0.514 0.000 4.716 619 I HA 0.086 4.256 4.170 -0.001 0.000 0.240 619 I C 1.543 177.562 176.117 -0.164 0.000 1.006 619 I CA 0.054 61.079 61.300 -0.459 0.000 1.875 619 I CB -0.731 36.958 38.000 -0.518 0.000 1.537 619 I HN -0.149 nan 8.210 nan 0.000 0.461 620 T N 1.494 115.945 114.554 -0.172 0.000 2.527 620 T HA -0.281 4.068 4.350 -0.001 0.000 0.258 620 T C 1.758 176.438 174.700 -0.033 0.000 1.175 620 T CA 2.531 64.594 62.100 -0.062 0.000 1.168 620 T CB -1.111 67.691 68.868 -0.110 0.000 0.860 620 T HN 0.678 nan 8.240 nan 0.000 0.429 621 G N 1.933 110.680 108.800 -0.088 0.000 2.469 621 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.220 621 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.220 621 G C 1.084 175.971 174.900 -0.023 0.000 1.136 621 G CA 1.075 46.137 45.100 -0.064 0.000 0.759 621 G HN 0.383 nan 8.290 nan 0.000 0.562 622 K N 0.245 120.636 120.400 -0.015 0.000 2.863 622 K HA 0.230 4.550 4.320 -0.001 0.000 0.304 622 K C 0.363 177.057 176.600 0.157 0.000 1.015 622 K CA -0.295 56.036 56.287 0.074 0.000 1.093 622 K CB 0.163 32.722 32.500 0.098 0.000 1.345 622 K HN -0.152 nan 8.250 nan 0.000 0.500 623 D N 0.439 120.996 120.400 0.261 0.000 2.587 623 D HA 0.084 4.723 4.640 -0.001 0.000 0.233 623 D C -0.739 175.600 176.300 0.065 0.000 1.213 623 D CA 0.196 54.269 54.000 0.122 0.000 0.827 623 D CB -0.110 40.690 40.800 0.000 0.000 1.006 623 D HN 0.208 nan 8.370 nan 0.000 0.490 624 Y N 0.400 120.720 120.300 0.034 0.000 2.387 624 Y HA 0.308 4.857 4.550 -0.001 0.000 0.336 624 Y C 0.230 176.175 175.900 0.075 0.000 1.067 624 Y CA -1.384 56.749 58.100 0.055 0.000 1.114 624 Y CB 1.234 39.745 38.460 0.085 0.000 1.208 624 Y HN -0.123 nan 8.280 nan 0.000 0.458 625 L N 4.837 126.176 121.223 0.194 0.000 2.313 625 L HA 0.374 4.714 4.340 -0.001 0.000 0.282 625 L C -1.521 175.517 176.870 0.280 0.000 1.092 625 L CA -0.579 54.376 54.840 0.191 0.000 0.831 625 L CB -0.478 41.636 42.059 0.092 0.000 1.159 625 L HN 0.628 nan 8.230 nan 0.000 0.442 626 Y N 5.494 125.893 120.300 0.164 0.000 2.588 626 Y HA 0.671 5.220 4.550 -0.001 0.000 0.343 626 Y C -1.524 174.512 175.900 0.227 0.000 1.065 626 Y CA -0.914 57.257 58.100 0.119 0.000 1.038 626 Y CB 1.687 40.208 38.460 0.102 0.000 1.297 626 Y HN 0.678 nan 8.280 nan 0.000 0.467 627 Y N 2.594 122.836 120.300 -0.095 0.000 2.571 627 Y HA 0.695 5.245 4.550 -0.001 0.000 0.341 627 Y C -1.981 173.930 175.900 0.019 0.000 1.076 627 Y CA -2.630 55.556 58.100 0.143 0.000 1.029 627 Y CB 0.681 39.161 38.460 0.033 0.000 1.308 627 Y HN 0.575 nan 8.280 nan 0.000 0.461 628 F N 0.240 120.328 119.950 0.230 0.000 2.508 628 F HA 0.570 5.097 4.527 -0.001 0.000 0.325 628 F C 0.095 175.847 175.800 -0.080 0.000 1.090 628 F CA -1.636 56.367 58.000 0.005 0.000 0.945 628 F CB 1.437 40.320 39.000 -0.194 0.000 1.156 628 F HN 0.729 nan 8.300 nan 0.000 0.463 629 N N 2.917 121.394 118.700 -0.371 0.000 1.939 629 N HA -0.170 4.570 4.740 -0.001 0.000 0.301 629 N C 1.061 176.167 175.510 -0.674 0.000 1.353 629 N CA 0.047 52.631 53.050 -0.777 0.000 0.851 629 N CB 0.514 37.970 38.487 -1.719 0.000 1.153 629 N HN 0.566 nan 8.380 nan 0.000 0.496 630 R N 1.684 121.896 120.500 -0.480 0.000 2.276 630 R HA -0.109 4.230 4.340 -0.001 0.000 0.243 630 R C 0.678 176.781 176.300 -0.328 0.000 1.161 630 R CA 0.967 56.821 56.100 -0.409 0.000 1.007 630 R CB -0.523 29.590 30.300 -0.312 0.000 0.867 630 R HN 0.475 nan 8.270 nan 0.000 0.472 631 S N 0.022 115.497 115.700 -0.374 0.000 2.605 631 S HA 0.125 4.595 4.470 -0.001 0.000 0.217 631 S C 1.187 175.713 174.600 -0.124 0.000 0.958 631 S CA -0.353 57.699 58.200 -0.247 0.000 0.919 631 S CB -0.116 62.926 63.200 -0.264 0.000 0.780 631 S HN 0.387 nan 8.310 nan 0.000 0.507 632 Y N 2.270 122.527 120.300 -0.072 0.000 2.181 632 Y HA -0.067 4.482 4.550 -0.001 0.000 0.288 632 Y C 1.965 177.823 175.900 -0.070 0.000 1.146 632 Y CA 0.448 58.559 58.100 0.020 0.000 1.164 632 Y CB 0.120 38.749 38.460 0.283 0.000 0.982 632 Y HN 0.322 nan 8.280 nan 0.000 0.515 633 N N -0.564 118.240 118.700 0.173 0.000 2.205 633 N HA 0.080 4.820 4.740 -0.001 0.000 0.201 633 N C 0.015 175.618 175.510 0.154 0.000 1.128 633 N CA 0.277 53.349 53.050 0.036 0.000 0.867 633 N CB 0.578 39.198 38.487 0.222 0.000 0.996 633 N HN 0.316 nan 8.380 nan 0.000 0.503 634 K N 0.660 121.128 120.400 0.114 0.000 2.642 634 K HA 0.503 4.823 4.320 -0.001 0.000 0.273 634 K C -0.328 176.406 176.600 0.223 0.000 1.029 634 K CA -0.649 55.739 56.287 0.168 0.000 1.071 634 K CB 0.857 33.385 32.500 0.046 0.000 1.451 634 K HN -0.183 nan 8.250 nan 0.000 0.559 635 I N 0.692 121.339 120.570 0.127 0.000 2.464 635 I HA 0.241 4.410 4.170 -0.001 0.000 0.277 635 I C -0.313 175.797 176.117 -0.012 0.000 1.040 635 I CA -0.672 60.693 61.300 0.108 0.000 1.153 635 I CB 1.100 39.142 38.000 0.071 0.000 1.274 635 I HN 0.408 nan 8.210 nan 0.000 0.469 636 A N 7.416 130.205 122.820 -0.051 0.000 2.553 636 A HA 0.267 4.587 4.320 -0.001 0.000 0.258 636 A C -1.435 176.043 177.584 -0.177 0.000 1.069 636 A CA -0.379 51.570 52.037 -0.147 0.000 0.767 636 A CB -0.317 18.580 19.000 -0.172 0.000 0.997 636 A HN 0.578 nan 8.150 nan 0.000 0.512 637 P HA -0.172 nan 4.420 nan 0.000 0.211 637 P C 1.903 179.023 177.300 -0.299 0.000 1.179 637 P CA 1.910 64.880 63.100 -0.217 0.000 0.910 637 P CB -0.036 31.537 31.700 -0.211 0.000 0.785 638 G N 0.436 108.880 108.800 -0.593 0.000 2.719 638 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.219 638 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.219 638 G C 1.067 175.732 174.900 -0.391 0.000 1.234 638 G CA 1.722 46.191 45.100 -1.053 0.000 0.788 638 G HN 0.518 nan 8.290 nan 0.000 0.619 639 N N -0.587 117.942 118.700 -0.285 0.000 2.236 639 N HA 0.169 4.908 4.740 -0.001 0.000 0.196 639 N C 0.043 175.545 175.510 -0.013 0.000 1.114 639 N CA 0.147 53.225 53.050 0.047 0.000 0.859 639 N CB 0.255 38.841 38.487 0.165 0.000 0.982 639 N HN 0.225 nan 8.380 nan 0.000 0.493 640 K N 0.330 120.684 120.400 -0.076 0.000 3.278 640 K HA -0.200 4.120 4.320 -0.001 0.000 0.270 640 K C -0.858 175.740 176.600 -0.004 0.000 0.955 640 K CA 0.285 56.547 56.287 -0.043 0.000 0.723 640 K CB -1.302 31.181 32.500 -0.028 0.000 1.382 640 K HN 0.540 nan 8.250 nan 0.000 0.461 641 A N 0.873 123.690 122.820 -0.005 0.000 2.340 641 A HA 0.627 4.947 4.320 -0.001 0.000 0.331 641 A C -1.345 176.290 177.584 0.085 0.000 1.140 641 A CA -0.565 51.491 52.037 0.032 0.000 0.801 641 A CB 0.783 19.784 19.000 0.002 0.000 1.234 641 A HN 0.328 nan 8.150 nan 0.000 0.469 642 Y N 2.943 123.227 120.300 -0.027 0.000 2.356 642 Y HA 0.589 5.139 4.550 -0.001 0.000 0.334 642 Y C -0.228 175.669 175.900 -0.006 0.000 0.958 642 Y CA -0.724 57.374 58.100 -0.003 0.000 1.196 642 Y CB 0.442 38.899 38.460 -0.005 0.000 1.137 642 Y HN 0.601 nan 8.280 nan 0.000 0.485 643 I N 3.185 123.545 120.570 -0.350 0.000 3.783 643 I HA 0.416 4.586 4.170 -0.001 0.000 0.272 643 I C -0.561 175.291 176.117 -0.441 0.000 1.329 643 I CA -1.049 60.058 61.300 -0.321 0.000 0.887 643 I CB 1.420 39.354 38.000 -0.111 0.000 1.596 643 I HN 0.486 nan 8.210 nan 0.000 0.712 644 E N 0.707 120.792 120.200 -0.191 0.000 2.321 644 E HA 0.254 4.604 4.350 -0.001 0.000 0.281 644 E C -2.058 174.742 176.600 0.333 0.000 0.910 644 E CA -0.595 55.808 56.400 0.006 0.000 0.770 644 E CB 2.019 31.744 29.700 0.042 0.000 1.225 644 E HN 0.474 nan 8.360 nan 0.000 0.417 645 W N 5.280 126.598 121.300 0.029 0.000 3.036 645 W HA 0.196 4.855 4.660 -0.001 0.000 0.337 645 W C -0.836 175.629 176.519 -0.091 0.000 1.055 645 W CA -0.667 56.645 57.345 -0.055 0.000 1.248 645 W CB 1.604 30.980 29.460 -0.141 0.000 1.335 645 W HN 0.639 nan 8.180 nan 0.000 0.446 646 T N 1.616 115.941 114.554 -0.382 0.000 2.778 646 T HA -0.064 4.286 4.350 -0.001 0.000 0.282 646 T C -0.331 174.245 174.700 -0.206 0.000 0.983 646 T CA 0.364 62.305 62.100 -0.264 0.000 1.193 646 T CB 0.873 69.536 68.868 -0.342 0.000 0.938 646 T HN 0.312 nan 8.240 nan 0.000 0.523 647 D N 3.860 124.281 120.400 0.035 0.000 2.381 647 D HA 0.341 4.981 4.640 -0.001 0.000 0.235 647 D C -1.699 174.675 176.300 0.123 0.000 1.068 647 D CA -2.639 51.467 54.000 0.177 0.000 0.832 647 D CB 1.968 43.034 40.800 0.443 0.000 1.101 647 D HN 0.149 nan 8.370 nan 0.000 0.515 648 P HA -0.130 nan 4.420 nan 0.000 0.213 648 P C 1.736 179.095 177.300 0.099 0.000 1.170 648 P CA 1.120 64.265 63.100 0.075 0.000 0.902 648 P CB 0.225 31.973 31.700 0.079 0.000 0.789 649 I N -1.298 119.353 120.570 0.135 0.000 2.113 649 I HA -0.327 3.843 4.170 -0.001 0.000 0.242 649 I C 2.121 178.301 176.117 0.104 0.000 1.064 649 I CA 2.100 63.469 61.300 0.115 0.000 1.320 649 I CB -1.747 36.328 38.000 0.125 0.000 1.028 649 I HN 0.028 nan 8.210 nan 0.000 0.406 650 T N 0.425 115.055 114.554 0.126 0.000 2.720 650 T HA -0.241 4.108 4.350 -0.001 0.000 0.268 650 T C 1.883 176.637 174.700 0.090 0.000 1.037 650 T CA 1.617 63.786 62.100 0.115 0.000 1.144 650 T CB -0.266 68.686 68.868 0.140 0.000 0.864 650 T HN 0.282 nan 8.240 nan 0.000 0.444 651 K N 0.656 121.101 120.400 0.075 0.000 2.519 651 K HA 0.055 4.374 4.320 -0.001 0.000 0.196 651 K C 1.276 177.905 176.600 0.049 0.000 1.041 651 K CA 0.770 57.088 56.287 0.052 0.000 0.954 651 K CB -0.027 32.492 32.500 0.030 0.000 0.774 651 K HN 0.288 nan 8.250 nan 0.000 0.480 652 A N -0.060 122.794 122.820 0.056 0.000 2.594 652 A HA 0.127 4.446 4.320 -0.001 0.000 0.287 652 A C 1.292 178.905 177.584 0.048 0.000 1.227 652 A CA -0.454 51.612 52.037 0.048 0.000 0.952 652 A CB 0.122 19.151 19.000 0.048 0.000 1.161 652 A HN 0.183 nan 8.150 nan 0.000 0.524 653 K N 0.463 120.900 120.400 0.061 0.000 2.067 653 K HA 0.093 4.413 4.320 -0.001 0.000 0.203 653 K C 1.304 177.933 176.600 0.048 0.000 1.048 653 K CA 0.986 57.311 56.287 0.063 0.000 0.954 653 K CB -0.223 32.338 32.500 0.101 0.000 0.737 653 K HN 0.442 nan 8.250 nan 0.000 0.444 654 I N 1.842 122.454 120.570 0.070 0.000 2.576 654 I HA -0.306 3.864 4.170 -0.001 0.000 0.263 654 I C 0.384 176.500 176.117 -0.001 0.000 1.183 654 I CA 1.441 62.777 61.300 0.060 0.000 1.432 654 I CB -0.526 37.512 38.000 0.063 0.000 1.100 654 I HN 0.318 nan 8.210 nan 0.000 0.452 655 N N -0.384 118.311 118.700 -0.009 0.000 2.338 655 N HA 0.132 4.871 4.740 -0.001 0.000 0.251 655 N C -0.560 174.918 175.510 -0.054 0.000 1.199 655 N CA -0.080 52.949 53.050 -0.036 0.000 0.879 655 N CB 0.901 39.380 38.487 -0.014 0.000 1.159 655 N HN 0.040 nan 8.380 nan 0.000 0.514 656 T N 0.975 115.490 114.554 -0.065 0.000 2.840 656 T HA 0.273 4.622 4.350 -0.001 0.000 0.287 656 T C -0.056 174.558 174.700 -0.144 0.000 0.991 656 T CA -0.479 61.580 62.100 -0.069 0.000 0.964 656 T CB 1.847 70.719 68.868 0.006 0.000 0.954 656 T HN 0.110 nan 8.240 nan 0.000 0.438 657 I N 6.527 126.935 120.570 -0.270 0.000 2.752 657 I HA 0.112 4.282 4.170 -0.001 0.000 0.289 657 I C -1.642 174.380 176.117 -0.158 0.000 1.197 657 I CA -1.624 59.455 61.300 -0.368 0.000 1.432 657 I CB 1.042 38.567 38.000 -0.792 0.000 1.359 657 I HN 0.368 nan 8.210 nan 0.000 0.571 658 P HA 0.132 nan 4.420 nan 0.000 0.274 658 P C -0.711 176.607 177.300 0.029 0.000 1.256 658 P CA -0.297 62.769 63.100 -0.055 0.000 0.795 658 P CB 0.533 32.182 31.700 -0.084 0.000 1.038 659 T N -1.835 112.718 114.554 -0.001 0.000 2.849 659 T HA 0.127 4.477 4.350 -0.001 0.000 0.276 659 T C 1.532 176.286 174.700 0.089 0.000 0.971 659 T CA -0.371 61.736 62.100 0.012 0.000 0.949 659 T CB 0.084 68.864 68.868 -0.147 0.000 1.093 659 T HN 0.444 nan 8.240 nan 0.000 0.545 660 S N 0.415 116.181 115.700 0.110 0.000 2.363 660 S HA -0.157 4.313 4.470 -0.001 0.000 0.218 660 S C 2.356 177.054 174.600 0.163 0.000 1.035 660 S CA 1.469 59.760 58.200 0.152 0.000 1.043 660 S CB -1.170 62.101 63.200 0.119 0.000 0.986 660 S HN 0.821 nan 8.310 nan 0.000 0.423 661 A N 0.773 123.642 122.820 0.081 0.000 2.019 661 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 661 A C 2.067 179.677 177.584 0.043 0.000 1.164 661 A CA 1.758 53.822 52.037 0.044 0.000 0.644 661 A CB -0.792 18.212 19.000 0.007 0.000 0.805 661 A HN 0.788 nan 8.150 nan 0.000 0.449 662 E N -1.558 118.676 120.200 0.058 0.000 2.204 662 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 662 E C 1.561 178.246 176.600 0.143 0.000 0.989 662 E CA 0.894 57.331 56.400 0.061 0.000 0.824 662 E CB -0.147 29.578 29.700 0.041 0.000 0.756 662 E HN 0.619 nan 8.360 nan 0.000 0.477 663 F N 1.338 121.292 119.950 0.008 0.000 2.059 663 F HA -0.029 4.498 4.527 -0.001 0.000 0.289 663 F C 2.022 177.827 175.800 0.009 0.000 1.128 663 F CA 1.079 59.106 58.000 0.045 0.000 1.181 663 F CB -0.765 38.250 39.000 0.024 0.000 1.012 663 F HN -0.087 nan 8.300 nan 0.000 0.473 664 I N 0.378 120.872 120.570 -0.127 0.000 2.181 664 I HA -0.424 3.745 4.170 -0.001 0.000 0.247 664 I C 2.388 178.372 176.117 -0.222 0.000 1.081 664 I CA 1.755 62.904 61.300 -0.250 0.000 1.340 664 I CB -0.550 37.408 38.000 -0.070 0.000 1.036 664 I HN 0.179 nan 8.210 nan 0.000 0.417 665 K N 1.239 121.563 120.400 -0.127 0.000 1.978 665 K HA -0.182 4.137 4.320 -0.001 0.000 0.214 665 K C 1.710 178.185 176.600 -0.210 0.000 1.049 665 K CA 1.987 58.197 56.287 -0.129 0.000 0.939 665 K CB -0.473 31.983 32.500 -0.074 0.000 0.721 665 K HN 0.337 nan 8.250 nan 0.000 0.441 666 N N 0.094 118.660 118.700 -0.223 0.000 2.069 666 N HA -0.238 4.502 4.740 -0.001 0.000 0.196 666 N C 1.741 176.885 175.510 -0.611 0.000 1.024 666 N CA 1.600 54.402 53.050 -0.414 0.000 0.869 666 N CB -0.269 37.942 38.487 -0.459 0.000 1.035 666 N HN 0.058 nan 8.380 nan 0.000 0.434 667 L N 0.510 121.365 121.223 -0.614 0.000 1.944 667 L HA -0.245 4.094 4.340 -0.001 0.000 0.218 667 L C 2.729 179.376 176.870 -0.372 0.000 1.075 667 L CA 1.313 55.815 54.840 -0.564 0.000 0.767 667 L CB -1.050 40.748 42.059 -0.435 0.000 0.890 667 L HN 0.234 nan 8.230 nan 0.000 0.434 668 S N -0.474 115.064 115.700 -0.270 0.000 2.414 668 S HA -0.350 4.120 4.470 -0.001 0.000 0.241 668 S C 2.240 176.728 174.600 -0.186 0.000 1.079 668 S CA 2.267 60.355 58.200 -0.186 0.000 1.087 668 S CB -0.467 62.642 63.200 -0.152 0.000 0.927 668 S HN 0.560 nan 8.310 nan 0.000 0.456 669 S N 1.373 116.931 115.700 -0.237 0.000 2.398 669 S HA -0.146 4.323 4.470 -0.001 0.000 0.220 669 S C 1.855 176.330 174.600 -0.208 0.000 1.038 669 S CA 1.956 60.026 58.200 -0.217 0.000 1.080 669 S CB -1.032 62.013 63.200 -0.259 0.000 1.039 669 S HN 0.663 nan 8.310 nan 0.000 0.419 670 I N 1.483 121.871 120.570 -0.304 0.000 2.236 670 I HA -0.242 3.928 4.170 -0.001 0.000 0.249 670 I C 2.905 178.993 176.117 -0.048 0.000 1.102 670 I CA 1.875 63.036 61.300 -0.231 0.000 1.365 670 I CB -0.703 36.995 38.000 -0.503 0.000 1.051 670 I HN 0.390 nan 8.210 nan 0.000 0.420 671 R N 1.017 121.500 120.500 -0.028 0.000 2.117 671 R HA -0.157 4.182 4.340 -0.001 0.000 0.243 671 R C 2.052 178.334 176.300 -0.029 0.000 1.143 671 R CA 1.358 57.467 56.100 0.015 0.000 0.968 671 R CB -0.049 30.227 30.300 -0.039 0.000 0.863 671 R HN 0.165 nan 8.270 nan 0.000 0.444 672 R N -0.371 120.094 120.500 -0.059 0.000 2.426 672 R HA 0.080 4.420 4.340 -0.001 0.000 0.263 672 R C 1.013 177.281 176.300 -0.054 0.000 0.961 672 R CA 0.252 56.319 56.100 -0.057 0.000 1.086 672 R CB 0.340 30.600 30.300 -0.067 0.000 1.186 672 R HN 0.175 nan 8.270 nan 0.000 0.537 673 S N -1.580 114.091 115.700 -0.049 0.000 2.731 673 S HA 0.189 4.658 4.470 -0.001 0.000 0.244 673 S C 0.520 175.106 174.600 -0.024 0.000 1.084 673 S CA -0.029 58.142 58.200 -0.048 0.000 0.877 673 S CB 0.362 63.520 63.200 -0.070 0.000 0.798 673 S HN 0.194 nan 8.310 nan 0.000 0.496 674 S N 1.648 117.347 115.700 -0.000 0.000 2.718 674 S HA 0.501 4.970 4.470 -0.001 0.000 0.292 674 S C -0.272 174.328 174.600 0.001 0.000 1.125 674 S CA -0.761 57.446 58.200 0.012 0.000 1.013 674 S CB 0.409 63.637 63.200 0.046 0.000 1.192 674 S HN 0.381 nan 8.310 nan 0.000 0.535 675 N N 0.575 119.272 118.700 -0.006 0.000 2.541 675 N HA 0.399 5.139 4.740 -0.001 0.000 0.297 675 N C -1.074 174.418 175.510 -0.030 0.000 1.503 675 N CA 0.185 53.224 53.050 -0.019 0.000 0.919 675 N CB 0.937 39.410 38.487 -0.022 0.000 1.305 675 N HN 0.591 nan 8.380 nan 0.000 0.501 676 V N -0.635 119.262 119.914 -0.028 0.000 2.524 676 V HA 0.773 4.892 4.120 -0.001 0.000 0.297 676 V C 0.704 176.715 176.094 -0.138 0.000 1.035 676 V CA -0.800 61.451 62.300 -0.082 0.000 0.867 676 V CB 1.476 33.248 31.823 -0.085 0.000 1.004 676 V HN 0.075 nan 8.190 nan 0.000 0.426 677 G N 1.762 110.445 108.800 -0.195 0.000 2.562 677 G HA2 0.490 4.449 3.960 -0.001 0.000 0.275 677 G HA3 0.490 4.449 3.960 -0.001 0.000 0.275 677 G C 0.971 175.579 174.900 -0.487 0.000 1.196 677 G CA 0.367 45.313 45.100 -0.258 0.000 0.908 677 G HN 1.340 nan 8.290 nan 0.000 0.524 678 V N -0.697 118.986 119.914 -0.385 0.000 2.660 678 V HA -0.010 4.109 4.120 -0.001 0.000 0.257 678 V C 0.612 176.652 176.094 -0.091 0.000 1.088 678 V CA 1.827 63.975 62.300 -0.254 0.000 1.106 678 V CB -2.289 29.673 31.823 0.231 0.000 0.686 678 V HN 0.726 nan 8.190 nan 0.000 0.481 679 Y N -1.935 118.311 120.300 -0.091 0.000 2.519 679 Y HA 0.715 5.264 4.550 -0.001 0.000 0.336 679 Y C -0.816 175.056 175.900 -0.048 0.000 1.089 679 Y CA -2.533 55.532 58.100 -0.059 0.000 1.025 679 Y CB 1.175 39.618 38.460 -0.028 0.000 1.318 679 Y HN -0.114 nan 8.280 nan 0.000 0.452 680 K N 1.334 121.861 120.400 0.211 0.000 2.095 680 K HA 0.246 4.566 4.320 -0.001 0.000 0.252 680 K C -0.880 175.865 176.600 0.241 0.000 0.977 680 K CA -0.700 55.666 56.287 0.133 0.000 0.900 680 K CB 1.033 33.564 32.500 0.051 0.000 1.060 680 K HN 0.909 nan 8.250 nan 0.000 0.449 681 D N 1.886 122.381 120.400 0.158 0.000 2.600 681 D HA 0.039 4.678 4.640 -0.001 0.000 0.226 681 D C -0.443 175.911 176.300 0.090 0.000 1.119 681 D CA 0.070 54.157 54.000 0.144 0.000 1.051 681 D CB -0.035 40.824 40.800 0.098 0.000 1.106 681 D HN 0.516 nan 8.370 nan 0.000 0.491 682 S N -0.223 115.532 115.700 0.091 0.000 3.081 682 S HA 0.696 5.166 4.470 -0.001 0.000 0.316 682 S C 1.177 175.809 174.600 0.053 0.000 1.089 682 S CA -0.233 58.002 58.200 0.059 0.000 0.897 682 S CB 1.144 64.373 63.200 0.048 0.000 1.358 682 S HN 0.112 nan 8.310 nan 0.000 0.678 683 G N -0.754 108.066 108.800 0.033 0.000 2.850 683 G HA2 0.330 4.290 3.960 -0.001 0.000 0.211 683 G HA3 0.330 4.290 3.960 -0.001 0.000 0.211 683 G C 0.403 175.306 174.900 0.005 0.000 1.124 683 G CA 0.480 45.590 45.100 0.015 0.000 0.769 683 G HN 1.173 nan 8.290 nan 0.000 0.535 684 D N 1.799 122.209 120.400 0.017 0.000 2.536 684 D HA 0.149 4.789 4.640 -0.001 0.000 0.260 684 D C 1.248 177.554 176.300 0.011 0.000 1.270 684 D CA -0.063 53.943 54.000 0.010 0.000 0.934 684 D CB 0.121 40.934 40.800 0.021 0.000 1.129 684 D HN 0.093 nan 8.370 nan 0.000 0.533 685 K N 1.378 121.758 120.400 -0.033 0.000 2.585 685 K HA -0.058 4.262 4.320 -0.001 0.000 0.194 685 K C 0.367 176.967 176.600 0.000 0.000 1.037 685 K CA 0.523 56.765 56.287 -0.075 0.000 0.964 685 K CB 0.280 32.692 32.500 -0.147 0.000 0.787 685 K HN 0.578 nan 8.250 nan 0.000 0.488 686 D N -0.145 120.271 120.400 0.027 0.000 2.366 686 D HA -0.049 4.591 4.640 -0.001 0.000 0.205 686 D C 1.693 178.032 176.300 0.065 0.000 1.022 686 D CA 0.373 54.398 54.000 0.040 0.000 0.868 686 D CB 0.377 41.189 40.800 0.020 0.000 0.953 686 D HN 0.115 nan 8.370 nan 0.000 0.514 687 E N 0.240 120.489 120.200 0.082 0.000 2.024 687 E HA -0.011 4.338 4.350 -0.001 0.000 0.190 687 E C 1.687 178.347 176.600 0.100 0.000 0.974 687 E CA 0.418 56.875 56.400 0.095 0.000 0.810 687 E CB -0.422 29.340 29.700 0.103 0.000 0.775 687 E HN 0.233 nan 8.360 nan 0.000 0.453 688 F N 0.818 120.714 119.950 -0.090 0.000 2.147 688 F HA -0.291 4.236 4.527 -0.001 0.000 0.301 688 F C 1.924 177.656 175.800 -0.113 0.000 1.084 688 F CA 1.607 59.518 58.000 -0.148 0.000 1.268 688 F CB -0.206 38.730 39.000 -0.107 0.000 1.009 688 F HN 0.129 nan 8.300 nan 0.000 0.486 689 A N 0.733 123.778 122.820 0.375 0.000 1.873 689 A HA -0.269 4.050 4.320 -0.001 0.000 0.218 689 A C 2.228 179.846 177.584 0.056 0.000 1.193 689 A CA 2.225 54.399 52.037 0.228 0.000 0.629 689 A CB -0.841 18.232 19.000 0.121 0.000 0.826 689 A HN 0.514 nan 8.150 nan 0.000 0.447 690 K N -0.461 119.958 120.400 0.031 0.000 1.973 690 K HA -0.205 4.115 4.320 -0.001 0.000 0.212 690 K C 2.273 178.854 176.600 -0.032 0.000 1.047 690 K CA 1.794 58.084 56.287 0.005 0.000 0.937 690 K CB -0.285 32.243 32.500 0.046 0.000 0.721 690 K HN 0.567 nan 8.250 nan 0.000 0.440 691 K N 1.600 121.913 120.400 -0.145 0.000 2.015 691 K HA -0.322 3.998 4.320 -0.001 0.000 0.220 691 K C 2.100 178.527 176.600 -0.289 0.000 1.055 691 K CA 2.355 58.420 56.287 -0.371 0.000 0.951 691 K CB -0.259 31.532 32.500 -1.182 0.000 0.725 691 K HN -0.027 nan 8.250 nan 0.000 0.449 692 E N 0.534 120.467 120.200 -0.445 0.000 2.108 692 E HA -0.234 4.115 4.350 -0.001 0.000 0.203 692 E C 2.047 178.551 176.600 -0.160 0.000 1.022 692 E CA 1.979 58.157 56.400 -0.369 0.000 0.823 692 E CB -0.648 28.821 29.700 -0.385 0.000 0.744 692 E HN 0.403 nan 8.360 nan 0.000 0.456 693 S N -1.249 114.391 115.700 -0.100 0.000 2.402 693 S HA -0.114 4.355 4.470 -0.001 0.000 0.229 693 S C 1.974 176.562 174.600 -0.020 0.000 1.021 693 S CA 1.229 59.391 58.200 -0.064 0.000 0.974 693 S CB -0.347 62.819 63.200 -0.056 0.000 0.800 693 S HN 0.337 nan 8.310 nan 0.000 0.484 694 V N -0.020 119.940 119.914 0.077 0.000 2.591 694 V HA 0.133 4.253 4.120 -0.001 0.000 0.249 694 V C 2.144 178.350 176.094 0.186 0.000 1.053 694 V CA 1.856 64.310 62.300 0.256 0.000 1.068 694 V CB -0.901 31.158 31.823 0.394 0.000 0.689 694 V HN 0.429 nan 8.190 nan 0.000 0.462 695 K N 0.394 120.834 120.400 0.065 0.000 2.281 695 K HA -0.166 4.153 4.320 -0.001 0.000 0.203 695 K C 2.181 178.766 176.600 -0.025 0.000 1.046 695 K CA 1.547 57.849 56.287 0.026 0.000 0.938 695 K CB -0.118 32.354 32.500 -0.046 0.000 0.737 695 K HN 0.544 nan 8.250 nan 0.000 0.458 696 K N 0.083 120.427 120.400 -0.095 0.000 2.186 696 K HA 0.036 4.356 4.320 -0.001 0.000 0.202 696 K C 1.953 178.285 176.600 -0.446 0.000 1.052 696 K CA 0.765 56.899 56.287 -0.255 0.000 0.965 696 K CB 0.108 32.437 32.500 -0.285 0.000 0.746 696 K HN 0.155 nan 8.250 nan 0.000 0.457 697 I N 0.976 121.388 120.570 -0.264 0.000 2.286 697 I HA -0.162 4.007 4.170 -0.001 0.000 0.245 697 I C 1.707 177.724 176.117 -0.167 0.000 1.104 697 I CA 0.603 61.719 61.300 -0.307 0.000 1.397 697 I CB -0.168 37.701 38.000 -0.217 0.000 1.072 697 I HN 0.014 nan 8.210 nan 0.000 0.417 698 A N 0.587 123.438 122.820 0.051 0.000 2.233 698 A HA 0.274 4.594 4.320 -0.001 0.000 0.230 698 A C 1.515 179.147 177.584 0.080 0.000 1.347 698 A CA 0.999 53.127 52.037 0.152 0.000 1.087 698 A CB -1.154 18.001 19.000 0.259 0.000 0.871 698 A HN 0.522 nan 8.150 nan 0.000 0.519 699 G N -1.860 106.957 108.800 0.028 0.000 2.619 699 G HA2 0.124 4.083 3.960 -0.001 0.000 0.201 699 G HA3 0.124 4.083 3.960 -0.001 0.000 0.201 699 G C 1.192 176.217 174.900 0.208 0.000 1.188 699 G CA 0.374 45.531 45.100 0.095 0.000 0.663 699 G HN 0.450 nan 8.290 nan 0.000 0.757 700 Y N 1.128 121.436 120.300 0.013 0.000 2.081 700 Y HA -0.194 4.355 4.550 -0.001 0.000 0.280 700 Y C 2.900 178.820 175.900 0.033 0.000 1.163 700 Y CA 0.810 58.911 58.100 0.002 0.000 1.135 700 Y CB -0.345 38.082 38.460 -0.054 0.000 0.970 700 Y HN 0.049 nan 8.280 nan 0.000 0.498 701 L N -0.668 120.650 121.223 0.159 0.000 2.013 701 L HA -0.288 4.051 4.340 -0.001 0.000 0.212 701 L C 2.720 179.724 176.870 0.225 0.000 1.073 701 L CA 1.571 56.477 54.840 0.110 0.000 0.753 701 L CB -0.658 41.395 42.059 -0.011 0.000 0.890 701 L HN 0.137 nan 8.230 nan 0.000 0.432 702 S N -0.850 114.964 115.700 0.189 0.000 2.447 702 S HA -0.153 4.316 4.470 -0.001 0.000 0.233 702 S C 1.439 176.156 174.600 0.196 0.000 1.006 702 S CA 1.185 59.506 58.200 0.201 0.000 0.957 702 S CB -0.222 63.064 63.200 0.144 0.000 0.773 702 S HN 0.392 nan 8.310 nan 0.000 0.507 703 D N -0.387 120.123 120.400 0.182 0.000 2.213 703 D HA 0.020 4.659 4.640 -0.001 0.000 0.205 703 D C 1.354 177.709 176.300 0.091 0.000 0.961 703 D CA 0.587 54.662 54.000 0.125 0.000 0.853 703 D CB -0.419 40.452 40.800 0.117 0.000 0.967 703 D HN 0.524 nan 8.370 nan 0.000 0.496 704 Y N 0.876 121.167 120.300 -0.015 0.000 2.030 704 Y HA -0.275 4.275 4.550 -0.001 0.000 0.274 704 Y C 0.531 176.295 175.900 -0.227 0.000 1.153 704 Y CA 1.548 59.551 58.100 -0.162 0.000 1.115 704 Y CB -0.467 37.822 38.460 -0.285 0.000 0.969 704 Y HN -0.062 nan 8.280 nan 0.000 0.488 705 Y N 1.889 122.359 120.300 0.284 0.000 2.603 705 Y HA 0.072 4.622 4.550 -0.001 0.000 0.341 705 Y C 0.158 176.089 175.900 0.051 0.000 1.272 705 Y CA -0.341 57.856 58.100 0.161 0.000 1.891 705 Y CB -0.905 37.659 38.460 0.173 0.000 1.910 705 Y HN 0.115 nan 8.280 nan 0.000 0.432 706 N N -0.198 118.527 118.700 0.041 0.000 2.443 706 N HA 0.139 4.879 4.740 -0.001 0.000 0.295 706 N C 0.599 176.110 175.510 0.002 0.000 1.076 706 N CA -0.033 53.027 53.050 0.017 0.000 0.919 706 N CB 1.765 40.223 38.487 -0.049 0.000 1.176 706 N HN 0.231 nan 8.380 nan 0.000 0.487 707 S N 1.848 117.564 115.700 0.028 0.000 2.387 707 S HA -0.047 4.423 4.470 -0.001 0.000 0.226 707 S C 1.788 176.450 174.600 0.103 0.000 1.026 707 S CA 1.027 59.261 58.200 0.057 0.000 0.972 707 S CB -0.190 63.044 63.200 0.056 0.000 0.814 707 S HN 0.751 nan 8.310 nan 0.000 0.477 708 A N 2.252 125.060 122.820 -0.020 0.000 2.084 708 A HA -0.173 4.146 4.320 -0.001 0.000 0.221 708 A C 1.640 178.933 177.584 -0.484 0.000 1.161 708 A CA 1.309 53.218 52.037 -0.214 0.000 0.653 708 A CB -0.974 17.872 19.000 -0.258 0.000 0.802 708 A HN 0.631 nan 8.150 nan 0.000 0.457 709 N N -0.493 117.985 118.700 -0.370 0.000 2.573 709 N HA -0.264 4.475 4.740 -0.001 0.000 0.196 709 N C 1.518 176.840 175.510 -0.312 0.000 1.064 709 N CA 1.047 53.824 53.050 -0.455 0.000 0.922 709 N CB -0.246 38.107 38.487 -0.224 0.000 0.947 709 N HN 0.908 nan 8.380 nan 0.000 0.450 710 H N 0.851 119.781 119.070 -0.232 0.000 2.372 710 H HA -0.048 4.507 4.556 -0.001 0.000 0.301 710 H C 2.024 177.317 175.328 -0.059 0.000 1.065 710 H CA 0.748 56.734 56.048 -0.103 0.000 1.364 710 H CB -0.798 28.930 29.762 -0.058 0.000 1.406 710 H HN 0.339 nan 8.280 nan 0.000 0.521 711 I N -1.717 118.446 120.570 -0.678 0.000 3.330 711 I HA 0.063 4.232 4.170 -0.001 0.000 0.298 711 I C -0.273 176.032 176.117 0.313 0.000 1.317 711 I CA 0.604 61.754 61.300 -0.250 0.000 1.334 711 I CB -0.960 36.862 38.000 -0.296 0.000 1.031 711 I HN -0.053 nan 8.210 nan 0.000 0.547 712 F N 0.815 120.717 119.950 -0.080 0.000 2.579 712 F HA 0.453 4.980 4.527 -0.001 0.000 0.324 712 F C 0.816 176.615 175.800 -0.002 0.000 1.058 712 F CA -1.488 56.492 58.000 -0.033 0.000 0.944 712 F CB 1.915 40.898 39.000 -0.028 0.000 1.245 712 F HN -0.005 nan 8.300 nan 0.000 0.477 713 S N 0.902 116.716 115.700 0.191 0.000 2.584 713 S HA 0.104 4.574 4.470 -0.001 0.000 0.273 713 S C 0.630 175.299 174.600 0.115 0.000 1.311 713 S CA -0.638 57.632 58.200 0.117 0.000 1.034 713 S CB 1.822 65.062 63.200 0.067 0.000 0.939 713 S HN 0.682 nan 8.310 nan 0.000 0.513 714 Q N 1.472 121.328 119.800 0.094 0.000 1.992 714 Q HA -0.292 4.048 4.340 -0.001 0.000 0.216 714 Q C 1.961 178.015 176.000 0.091 0.000 1.047 714 Q CA 2.742 58.598 55.803 0.089 0.000 0.899 714 Q CB -0.806 27.979 28.738 0.079 0.000 1.021 714 Q HN 0.999 nan 8.270 nan 0.000 0.421 715 E N -0.367 119.878 120.200 0.075 0.000 2.108 715 E HA -0.361 3.989 4.350 -0.001 0.000 0.203 715 E C 1.901 178.550 176.600 0.082 0.000 1.022 715 E CA 2.028 58.468 56.400 0.068 0.000 0.823 715 E CB -0.217 29.505 29.700 0.037 0.000 0.744 715 E HN 0.248 nan 8.360 nan 0.000 0.456 716 K N 0.851 121.303 120.400 0.087 0.000 2.020 716 K HA -0.216 4.103 4.320 -0.001 0.000 0.212 716 K C 2.041 178.744 176.600 0.172 0.000 1.050 716 K CA 2.126 58.483 56.287 0.116 0.000 0.929 716 K CB -0.065 32.495 32.500 0.100 0.000 0.714 716 K HN 0.019 nan 8.250 nan 0.000 0.443 717 K N 0.287 120.788 120.400 0.168 0.000 2.015 717 K HA -0.251 4.068 4.320 -0.001 0.000 0.220 717 K C 2.179 178.827 176.600 0.080 0.000 1.055 717 K CA 2.444 58.800 56.287 0.114 0.000 0.951 717 K CB -0.368 32.171 32.500 0.066 0.000 0.725 717 K HN 0.247 nan 8.250 nan 0.000 0.449 718 R N 1.334 121.887 120.500 0.088 0.000 2.133 718 R HA -0.220 4.120 4.340 -0.001 0.000 0.245 718 R C 2.330 178.729 176.300 0.165 0.000 1.137 718 R CA 1.850 58.011 56.100 0.103 0.000 0.947 718 R CB -0.576 29.797 30.300 0.122 0.000 0.865 718 R HN 0.242 nan 8.270 nan 0.000 0.437 719 K N 0.892 121.413 120.400 0.202 0.000 1.965 719 K HA -0.140 4.179 4.320 -0.001 0.000 0.220 719 K C 2.231 179.108 176.600 0.462 0.000 1.046 719 K CA 1.671 58.158 56.287 0.333 0.000 0.974 719 K CB -0.536 32.100 32.500 0.228 0.000 0.738 719 K HN 0.148 nan 8.250 nan 0.000 0.444 720 I N 1.081 121.893 120.570 0.403 0.000 2.290 720 I HA -0.396 3.774 4.170 -0.001 0.000 0.253 720 I C 1.745 177.972 176.117 0.184 0.000 1.112 720 I CA 1.702 63.199 61.300 0.328 0.000 1.377 720 I CB 0.019 38.153 38.000 0.223 0.000 1.060 720 I HN 0.120 nan 8.210 nan 0.000 0.428 721 S N 0.951 116.688 115.700 0.061 0.000 2.357 721 S HA -0.039 4.431 4.470 -0.001 0.000 0.221 721 S C 1.878 176.521 174.600 0.071 0.000 1.031 721 S CA 1.490 59.584 58.200 -0.177 0.000 0.982 721 S CB -0.333 62.628 63.200 -0.397 0.000 0.853 721 S HN 0.486 nan 8.310 nan 0.000 0.458 722 I N 0.583 121.272 120.570 0.200 0.000 2.248 722 I HA -0.238 3.932 4.170 -0.001 0.000 0.248 722 I C 2.121 178.324 176.117 0.144 0.000 1.107 722 I CA 1.388 62.835 61.300 0.245 0.000 1.373 722 I CB -0.286 37.957 38.000 0.405 0.000 1.055 722 I HN 0.214 nan 8.210 nan 0.000 0.418 723 F N 1.759 121.725 119.950 0.027 0.000 2.074 723 F HA -0.131 4.396 4.527 -0.001 0.000 0.293 723 F C 2.702 178.449 175.800 -0.088 0.000 1.116 723 F CA 1.447 59.348 58.000 -0.164 0.000 1.212 723 F CB -0.418 38.592 39.000 0.016 0.000 0.998 723 F HN -0.146 nan 8.300 nan 0.000 0.471 724 R N 0.411 120.899 120.500 -0.020 0.000 2.153 724 R HA -0.217 4.123 4.340 -0.001 0.000 0.252 724 R C 2.290 178.550 176.300 -0.067 0.000 1.158 724 R CA 1.293 57.338 56.100 -0.092 0.000 0.975 724 R CB -1.698 28.598 30.300 -0.005 0.000 0.871 724 R HN 0.522 nan 8.270 nan 0.000 0.450 725 G N 1.278 110.095 108.800 0.028 0.000 2.505 725 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.214 725 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.214 725 G C 1.557 176.388 174.900 -0.115 0.000 1.237 725 G CA 0.573 45.676 45.100 0.006 0.000 0.802 725 G HN 0.187 nan 8.290 nan 0.000 0.549 726 I N 0.575 121.037 120.570 -0.180 0.000 2.182 726 I HA -0.330 3.839 4.170 -0.001 0.000 0.248 726 I C 3.035 178.944 176.117 -0.347 0.000 1.073 726 I CA 1.410 62.569 61.300 -0.234 0.000 1.335 726 I CB -0.239 37.602 38.000 -0.265 0.000 1.031 726 I HN 0.228 nan 8.210 nan 0.000 0.420 727 Q N 0.445 119.938 119.800 -0.510 0.000 1.906 727 Q HA -0.334 4.005 4.340 -0.001 0.000 0.221 727 Q C 2.434 178.406 176.000 -0.047 0.000 1.021 727 Q CA 2.484 57.936 55.803 -0.585 0.000 0.880 727 Q CB -0.766 27.464 28.738 -0.846 0.000 0.966 727 Q HN 0.622 nan 8.270 nan 0.000 0.418 728 A N 0.332 123.298 122.820 0.242 0.000 1.870 728 A HA -0.296 4.024 4.320 -0.001 0.000 0.219 728 A C 1.989 179.579 177.584 0.010 0.000 1.224 728 A CA 2.180 54.371 52.037 0.256 0.000 0.650 728 A CB -1.554 17.476 19.000 0.051 0.000 0.836 728 A HN 0.579 nan 8.150 nan 0.000 0.454 729 Y N 1.286 121.477 120.300 -0.182 0.000 1.938 729 Y HA -0.410 4.139 4.550 -0.001 0.000 0.253 729 Y C 2.457 178.232 175.900 -0.209 0.000 1.163 729 Y CA 2.827 60.793 58.100 -0.223 0.000 1.086 729 Y CB -0.536 37.768 38.460 -0.261 0.000 0.928 729 Y HN 0.560 nan 8.280 nan 0.000 0.493 730 N N 0.443 119.186 118.700 0.072 0.000 2.090 730 N HA -0.339 4.400 4.740 -0.001 0.000 0.196 730 N C 1.734 177.195 175.510 -0.081 0.000 1.017 730 N CA 2.408 55.440 53.050 -0.030 0.000 0.890 730 N CB -0.785 37.391 38.487 -0.519 0.000 1.080 730 N HN 0.555 nan 8.380 nan 0.000 0.576 731 E N 0.241 120.390 120.200 -0.084 0.000 2.301 731 E HA -0.180 4.170 4.350 -0.001 0.000 0.202 731 E C 1.980 178.489 176.600 -0.153 0.000 1.017 731 E CA 0.678 57.020 56.400 -0.097 0.000 0.831 731 E CB -0.155 29.459 29.700 -0.143 0.000 0.742 731 E HN 0.511 nan 8.360 nan 0.000 0.491 732 I N 0.150 120.604 120.570 -0.194 0.000 2.206 732 I HA -0.180 3.989 4.170 -0.001 0.000 0.239 732 I C 2.414 178.386 176.117 -0.242 0.000 1.078 732 I CA 0.804 61.968 61.300 -0.225 0.000 1.367 732 I CB -1.479 36.363 38.000 -0.263 0.000 1.078 732 I HN 0.044 nan 8.210 nan 0.000 0.413 733 E N 1.636 121.681 120.200 -0.259 0.000 2.136 733 E HA -0.300 4.050 4.350 -0.001 0.000 0.202 733 E C 1.840 178.393 176.600 -0.078 0.000 1.019 733 E CA 2.110 58.431 56.400 -0.131 0.000 0.819 733 E CB -0.336 29.394 29.700 0.050 0.000 0.739 733 E HN 0.451 nan 8.360 nan 0.000 0.458 734 N N -0.846 117.807 118.700 -0.079 0.000 1.997 734 N HA -0.193 4.547 4.740 -0.001 0.000 0.198 734 N C 1.710 177.154 175.510 -0.110 0.000 1.070 734 N CA 2.539 55.550 53.050 -0.066 0.000 0.864 734 N CB -0.532 37.916 38.487 -0.065 0.000 1.066 734 N HN 0.090 nan 8.380 nan 0.000 0.425 735 V N 0.542 120.345 119.914 -0.185 0.000 2.317 735 V HA -0.230 3.889 4.120 -0.001 0.000 0.251 735 V C 2.312 178.259 176.094 -0.245 0.000 1.065 735 V CA 1.613 63.762 62.300 -0.252 0.000 1.049 735 V CB -0.771 30.775 31.823 -0.461 0.000 0.651 735 V HN 0.417 nan 8.190 nan 0.000 0.450 736 L N -0.066 121.004 121.223 -0.255 0.000 2.351 736 L HA -0.150 4.190 4.340 -0.001 0.000 0.220 736 L C 1.917 178.745 176.870 -0.069 0.000 1.127 736 L CA 1.874 56.626 54.840 -0.148 0.000 0.786 736 L CB -0.520 41.477 42.059 -0.102 0.000 0.914 736 L HN 0.246 nan 8.230 nan 0.000 0.443 737 K N -1.504 118.856 120.400 -0.066 0.000 2.455 737 K HA 0.234 4.553 4.320 -0.001 0.000 0.206 737 K C 0.917 177.499 176.600 -0.030 0.000 1.027 737 K CA 0.018 56.288 56.287 -0.028 0.000 1.113 737 K CB 0.672 33.166 32.500 -0.010 0.000 0.850 737 K HN 0.202 nan 8.250 nan 0.000 0.503 738 S N 0.937 116.606 115.700 -0.052 0.000 2.307 738 S HA 0.197 4.666 4.470 -0.001 0.000 0.252 738 S C 0.695 175.281 174.600 -0.023 0.000 1.204 738 S CA -0.176 58.000 58.200 -0.039 0.000 1.018 738 S CB 0.816 63.981 63.200 -0.059 0.000 1.077 738 S HN 0.138 nan 8.310 nan 0.000 0.454 739 K N 0.052 120.441 120.400 -0.019 0.000 2.679 739 K HA 0.194 4.514 4.320 -0.001 0.000 0.280 739 K C -0.529 176.064 176.600 -0.011 0.000 1.040 739 K CA -0.360 55.921 56.287 -0.010 0.000 1.002 739 K CB -0.024 32.474 32.500 -0.003 0.000 1.276 739 K HN 0.334 nan 8.250 nan 0.000 0.492 740 Q N 2.068 121.863 119.800 -0.008 0.000 2.409 740 Q HA 0.142 4.482 4.340 -0.001 0.000 0.240 740 Q C -0.444 175.545 176.000 -0.019 0.000 1.226 740 Q CA 0.330 56.129 55.803 -0.007 0.000 0.895 740 Q CB -0.834 27.902 28.738 -0.004 0.000 1.491 740 Q HN 0.368 nan 8.270 nan 0.000 0.509 741 I N -1.345 119.216 120.570 -0.015 0.000 2.304 741 I HA 0.570 4.740 4.170 -0.001 0.000 0.291 741 I C 0.375 176.491 176.117 -0.002 0.000 1.018 741 I CA -1.298 59.981 61.300 -0.035 0.000 1.260 741 I CB 1.090 39.087 38.000 -0.005 0.000 1.390 741 I HN 0.322 nan 8.210 nan 0.000 0.475 742 A N 8.788 131.570 122.820 -0.063 0.000 2.622 742 A HA -0.005 4.315 4.320 -0.001 0.000 0.236 742 A C -0.981 176.675 177.584 0.120 0.000 1.003 742 A CA -0.332 51.709 52.037 0.007 0.000 0.781 742 A CB -0.602 18.378 19.000 -0.033 0.000 0.902 742 A HN 0.812 nan 8.150 nan 0.000 0.496 743 P HA -0.198 nan 4.420 nan 0.000 0.226 743 P C 0.822 178.218 177.300 0.161 0.000 1.146 743 P CA 1.562 64.734 63.100 0.120 0.000 0.773 743 P CB 0.154 31.899 31.700 0.076 0.000 0.772 744 E N -0.419 119.904 120.200 0.205 0.000 2.051 744 E HA -0.165 4.184 4.350 -0.001 0.000 0.189 744 E C 1.931 178.684 176.600 0.256 0.000 0.979 744 E CA 1.134 57.648 56.400 0.190 0.000 0.803 744 E CB -1.363 28.437 29.700 0.167 0.000 0.761 744 E HN 0.269 nan 8.360 nan 0.000 0.451 745 Y N 2.053 122.440 120.300 0.146 0.000 2.352 745 Y HA -0.040 4.510 4.550 -0.001 0.000 0.292 745 Y C 2.486 178.636 175.900 0.416 0.000 1.136 745 Y CA 0.678 58.949 58.100 0.285 0.000 1.227 745 Y CB -0.362 38.308 38.460 0.349 0.000 0.991 745 Y HN -0.002 nan 8.280 nan 0.000 0.545 746 K N 1.087 121.751 120.400 0.441 0.000 2.001 746 K HA -0.256 4.063 4.320 -0.001 0.000 0.214 746 K C 1.459 178.229 176.600 0.283 0.000 1.050 746 K CA 2.143 58.617 56.287 0.311 0.000 0.934 746 K CB -0.612 32.001 32.500 0.189 0.000 0.718 746 K HN 0.508 nan 8.250 nan 0.000 0.443 747 N N -0.568 118.268 118.700 0.227 0.000 2.007 747 N HA -0.246 4.493 4.740 -0.001 0.000 0.197 747 N C 1.970 177.624 175.510 0.240 0.000 1.050 747 N CA 1.670 54.831 53.050 0.186 0.000 0.856 747 N CB -0.492 38.074 38.487 0.132 0.000 1.050 747 N HN 0.205 nan 8.380 nan 0.000 0.423 748 Y N 1.619 121.977 120.300 0.096 0.000 1.938 748 Y HA -0.344 4.205 4.550 -0.001 0.000 0.253 748 Y C 2.067 178.009 175.900 0.070 0.000 1.163 748 Y CA 1.668 59.805 58.100 0.061 0.000 1.086 748 Y CB -1.111 37.260 38.460 -0.148 0.000 0.928 748 Y HN 0.008 nan 8.280 nan 0.000 0.493 749 F N 0.592 120.537 119.950 -0.008 0.000 2.214 749 F HA -0.352 4.174 4.527 -0.001 0.000 0.302 749 F C 2.518 178.210 175.800 -0.180 0.000 1.063 749 F CA 2.103 60.003 58.000 -0.168 0.000 1.319 749 F CB -0.600 38.406 39.000 0.011 0.000 1.046 749 F HN 0.299 nan 8.300 nan 0.000 0.505 750 Q N -1.273 118.594 119.800 0.112 0.000 2.049 750 Q HA -0.203 4.137 4.340 -0.001 0.000 0.198 750 Q C 2.226 178.240 176.000 0.024 0.000 0.971 750 Q CA 1.568 57.407 55.803 0.059 0.000 0.833 750 Q CB -1.081 27.721 28.738 0.106 0.000 0.896 750 Q HN 0.615 nan 8.270 nan 0.000 0.434 751 Y N 0.774 121.032 120.300 -0.070 0.000 2.293 751 Y HA -0.063 4.486 4.550 -0.001 0.000 0.291 751 Y C 1.737 177.536 175.900 -0.168 0.000 1.137 751 Y CA 0.742 58.794 58.100 -0.080 0.000 1.202 751 Y CB -0.356 38.085 38.460 -0.031 0.000 0.990 751 Y HN 0.010 nan 8.280 nan 0.000 0.537 752 L N 0.337 121.233 121.223 -0.544 0.000 2.633 752 L HA -0.105 4.235 4.340 -0.001 0.000 0.235 752 L C 1.691 178.267 176.870 -0.490 0.000 1.163 752 L CA 1.051 55.453 54.840 -0.731 0.000 0.859 752 L CB -0.209 41.316 42.059 -0.890 0.000 0.973 752 L HN 0.328 nan 8.230 nan 0.000 0.451 753 K N -0.589 119.603 120.400 -0.347 0.000 2.225 753 K HA -0.106 4.213 4.320 -0.001 0.000 0.204 753 K C 1.677 178.183 176.600 -0.157 0.000 1.047 753 K CA 0.381 56.502 56.287 -0.277 0.000 0.970 753 K CB 0.125 32.474 32.500 -0.252 0.000 0.939 753 K HN -0.040 nan 8.250 nan 0.000 0.472 754 E N 1.745 121.878 120.200 -0.112 0.000 2.172 754 E HA -0.283 4.066 4.350 -0.001 0.000 0.213 754 E C 1.853 178.366 176.600 -0.144 0.000 1.051 754 E CA 1.820 58.185 56.400 -0.059 0.000 0.860 754 E CB 0.090 29.808 29.700 0.030 0.000 0.755 754 E HN 0.123 nan 8.360 nan 0.000 0.462 755 R N -0.194 120.154 120.500 -0.254 0.000 2.082 755 R HA -0.136 4.204 4.340 -0.001 0.000 0.228 755 R C 2.476 178.618 176.300 -0.263 0.000 1.140 755 R CA 1.677 57.619 56.100 -0.262 0.000 0.920 755 R CB -0.776 29.305 30.300 -0.365 0.000 0.828 755 R HN 0.293 nan 8.270 nan 0.000 0.430 756 I N 1.103 121.500 120.570 -0.288 0.000 2.121 756 I HA -0.372 3.797 4.170 -0.001 0.000 0.243 756 I C 2.295 178.157 176.117 -0.425 0.000 1.047 756 I CA 1.925 63.052 61.300 -0.288 0.000 1.308 756 I CB -1.846 36.058 38.000 -0.159 0.000 1.015 756 I HN 0.292 nan 8.210 nan 0.000 0.410 757 T N 1.938 116.188 114.554 -0.506 0.000 2.486 757 T HA -0.217 4.133 4.350 -0.001 0.000 0.257 757 T C 1.747 176.150 174.700 -0.496 0.000 1.175 757 T CA 1.977 63.545 62.100 -0.887 0.000 1.207 757 T CB -0.519 68.082 68.868 -0.444 0.000 0.864 757 T HN 0.315 nan 8.240 nan 0.000 0.405 758 N N 0.874 119.422 118.700 -0.254 0.000 2.069 758 N HA -0.208 4.531 4.740 -0.001 0.000 0.196 758 N C 2.032 177.464 175.510 -0.130 0.000 1.024 758 N CA 1.876 54.844 53.050 -0.136 0.000 0.869 758 N CB -0.584 37.855 38.487 -0.080 0.000 1.035 758 N HN 0.480 nan 8.380 nan 0.000 0.434 759 Q N 1.053 120.753 119.800 -0.166 0.000 2.030 759 Q HA -0.073 4.266 4.340 -0.001 0.000 0.204 759 Q C 1.951 177.900 176.000 -0.084 0.000 0.986 759 Q CA 1.655 57.384 55.803 -0.123 0.000 0.843 759 Q CB -0.282 28.352 28.738 -0.173 0.000 0.904 759 Q HN 0.178 nan 8.270 nan 0.000 0.420 760 V N 0.664 120.492 119.914 -0.143 0.000 2.490 760 V HA -0.255 3.864 4.120 -0.001 0.000 0.250 760 V C 2.374 178.480 176.094 0.020 0.000 1.061 760 V CA 1.893 64.166 62.300 -0.044 0.000 1.064 760 V CB -0.829 30.944 31.823 -0.084 0.000 0.670 760 V HN 0.418 nan 8.190 nan 0.000 0.461 761 Q N 0.062 119.846 119.800 -0.026 0.000 2.061 761 Q HA -0.229 4.110 4.340 -0.001 0.000 0.204 761 Q C 2.007 178.047 176.000 0.067 0.000 0.984 761 Q CA 2.108 57.940 55.803 0.048 0.000 0.846 761 Q CB -0.626 28.129 28.738 0.028 0.000 0.902 761 Q HN 0.556 nan 8.270 nan 0.000 0.421 762 L N -0.101 121.144 121.223 0.038 0.000 1.944 762 L HA -0.191 4.148 4.340 -0.001 0.000 0.218 762 L C 2.030 178.951 176.870 0.084 0.000 1.075 762 L CA 1.931 56.801 54.840 0.051 0.000 0.767 762 L CB -0.899 41.156 42.059 -0.006 0.000 0.890 762 L HN 0.413 nan 8.230 nan 0.000 0.434 763 L N -1.173 120.086 121.223 0.061 0.000 2.270 763 L HA -0.285 4.054 4.340 -0.001 0.000 0.217 763 L C 2.393 179.359 176.870 0.160 0.000 1.107 763 L CA 1.221 56.121 54.840 0.100 0.000 0.772 763 L CB -0.564 41.564 42.059 0.115 0.000 0.902 763 L HN 0.446 nan 8.230 nan 0.000 0.439 764 L N -0.798 120.517 121.223 0.153 0.000 2.115 764 L HA -0.092 4.247 4.340 -0.001 0.000 0.200 764 L C 2.480 179.434 176.870 0.141 0.000 1.094 764 L CA 1.454 56.385 54.840 0.152 0.000 0.769 764 L CB -0.735 41.416 42.059 0.153 0.000 0.931 764 L HN 0.288 nan 8.230 nan 0.000 0.455 765 T N -3.841 110.793 114.554 0.132 0.000 3.309 765 T HA -0.225 4.125 4.350 -0.001 0.000 0.265 765 T C 1.264 176.044 174.700 0.133 0.000 1.194 765 T CA 1.071 63.237 62.100 0.111 0.000 1.037 765 T CB -0.608 68.318 68.868 0.097 0.000 0.917 765 T HN 0.305 nan 8.240 nan 0.000 0.558 766 H N -0.430 118.669 119.070 0.048 0.000 2.562 766 H HA 0.292 4.848 4.556 -0.001 0.000 0.267 766 H C 2.113 177.463 175.328 0.037 0.000 0.959 766 H CA 1.122 57.196 56.048 0.044 0.000 1.204 766 H CB 0.446 30.239 29.762 0.051 0.000 1.430 766 H HN 0.623 nan 8.280 nan 0.000 0.545 767 Q N -0.613 119.233 119.800 0.077 0.000 2.361 767 Q HA 0.118 4.458 4.340 -0.001 0.000 0.182 767 Q C -0.565 175.444 176.000 0.014 0.000 0.650 767 Q CA -0.188 55.635 55.803 0.033 0.000 0.842 767 Q CB 0.992 29.765 28.738 0.058 0.000 1.211 767 Q HN 0.004 nan 8.270 nan 0.000 0.502 768 K N 2.007 122.422 120.400 0.025 0.000 2.530 768 K HA 0.329 4.649 4.320 -0.001 0.000 0.230 768 K C -1.218 175.400 176.600 0.030 0.000 1.002 768 K CA -0.137 56.157 56.287 0.012 0.000 1.014 768 K CB 1.566 34.061 32.500 -0.008 0.000 1.286 768 K HN 0.050 nan 8.250 nan 0.000 0.480 769 S N 2.660 118.378 115.700 0.031 0.000 3.158 769 S HA 0.204 4.674 4.470 -0.001 0.000 0.215 769 S C 0.428 175.050 174.600 0.036 0.000 1.359 769 S CA -0.397 57.830 58.200 0.045 0.000 0.974 769 S CB -0.435 62.795 63.200 0.050 0.000 1.336 769 S HN 0.635 nan 8.310 nan 0.000 0.488 770 N N 2.844 121.565 118.700 0.034 0.000 2.529 770 N HA 0.208 4.947 4.740 -0.001 0.000 0.231 770 N C -0.078 175.455 175.510 0.037 0.000 1.072 770 N CA -0.159 52.907 53.050 0.028 0.000 0.854 770 N CB 0.262 38.758 38.487 0.015 0.000 1.465 770 N HN 0.406 nan 8.380 nan 0.000 0.452 771 I N 2.523 123.119 120.570 0.044 0.000 2.696 771 I HA 0.121 4.290 4.170 -0.001 0.000 0.284 771 I C 0.178 176.343 176.117 0.080 0.000 1.129 771 I CA 0.434 61.768 61.300 0.057 0.000 1.410 771 I CB 0.521 38.562 38.000 0.067 0.000 1.399 771 I HN 0.146 nan 8.210 nan 0.000 0.579 772 E N 3.094 123.341 120.200 0.079 0.000 2.221 772 E HA 0.192 4.541 4.350 -0.001 0.000 0.268 772 E C 0.257 176.932 176.600 0.125 0.000 0.933 772 E CA -0.643 55.819 56.400 0.105 0.000 0.809 772 E CB 1.636 31.385 29.700 0.082 0.000 1.190 772 E HN 0.460 nan 8.360 nan 0.000 0.406 773 F N 2.967 122.932 119.950 0.025 0.000 2.063 773 F HA -0.272 4.254 4.527 -0.001 0.000 0.298 773 F C 2.203 178.006 175.800 0.006 0.000 1.109 773 F CA 2.071 60.064 58.000 -0.011 0.000 1.212 773 F CB -0.067 38.887 39.000 -0.077 0.000 0.973 773 F HN 0.458 nan 8.300 nan 0.000 0.480 774 K N 0.368 120.673 120.400 -0.158 0.000 2.015 774 K HA -0.249 4.070 4.320 -0.001 0.000 0.220 774 K C 2.136 178.635 176.600 -0.169 0.000 1.055 774 K CA 2.471 58.640 56.287 -0.196 0.000 0.951 774 K CB -0.670 31.826 32.500 -0.007 0.000 0.725 774 K HN 0.404 nan 8.250 nan 0.000 0.449 775 L N 0.732 121.915 121.223 -0.067 0.000 1.929 775 L HA -0.281 4.058 4.340 -0.001 0.000 0.229 775 L C 2.519 179.371 176.870 -0.030 0.000 1.086 775 L CA 1.641 56.461 54.840 -0.032 0.000 0.798 775 L CB -0.758 41.303 42.059 0.003 0.000 0.898 775 L HN 0.409 nan 8.230 nan 0.000 0.436 776 L N -1.449 119.780 121.223 0.010 0.000 2.232 776 L HA -0.371 3.968 4.340 -0.001 0.000 0.219 776 L C 2.576 179.507 176.870 0.102 0.000 1.086 776 L CA 1.634 56.526 54.840 0.087 0.000 0.789 776 L CB -0.372 41.790 42.059 0.172 0.000 0.890 776 L HN 0.354 nan 8.230 nan 0.000 0.441 777 Y N 0.501 120.659 120.300 -0.237 0.000 2.153 777 Y HA -0.218 4.332 4.550 -0.001 0.000 0.289 777 Y C 2.559 178.415 175.900 -0.074 0.000 1.127 777 Y CA 1.482 59.438 58.100 -0.240 0.000 1.131 777 Y CB -0.376 37.724 38.460 -0.599 0.000 0.995 777 Y HN 0.054 nan 8.280 nan 0.000 0.505 778 K N 0.629 120.946 120.400 -0.139 0.000 2.052 778 K HA -0.284 4.035 4.320 -0.001 0.000 0.215 778 K C 1.822 178.354 176.600 -0.114 0.000 1.053 778 K CA 2.230 58.410 56.287 -0.177 0.000 0.934 778 K CB -0.773 31.671 32.500 -0.094 0.000 0.717 778 K HN 0.586 nan 8.250 nan 0.000 0.450 779 Q N 0.339 120.114 119.800 -0.041 0.000 2.576 779 Q HA -0.111 4.228 4.340 -0.001 0.000 0.218 779 Q C -0.140 175.850 176.000 -0.015 0.000 0.983 779 Q CA 0.318 56.112 55.803 -0.015 0.000 0.920 779 Q CB -0.091 28.659 28.738 0.020 0.000 0.973 779 Q HN 0.030 nan 8.270 nan 0.000 0.528 780 L N 0.123 121.328 121.223 -0.030 0.000 2.375 780 L HA 0.247 4.587 4.340 -0.001 0.000 0.268 780 L C 0.091 176.864 176.870 -0.162 0.000 1.058 780 L CA -0.254 54.531 54.840 -0.092 0.000 0.803 780 L CB 0.969 43.003 42.059 -0.041 0.000 1.212 780 L HN -0.017 nan 8.230 nan 0.000 0.451 781 N N 0.966 119.505 118.700 -0.269 0.000 2.776 781 N HA 0.279 5.018 4.740 -0.001 0.000 0.245 781 N C -0.978 174.400 175.510 -0.221 0.000 1.121 781 N CA -0.239 52.709 53.050 -0.169 0.000 0.852 781 N CB 0.322 38.748 38.487 -0.100 0.000 1.142 781 N HN 0.392 nan 8.380 nan 0.000 0.514 782 F N 1.753 121.731 119.950 0.047 0.000 2.894 782 F HA 0.210 4.736 4.527 -0.001 0.000 0.310 782 F C 1.564 177.401 175.800 0.063 0.000 1.204 782 F CA -0.228 57.819 58.000 0.078 0.000 1.290 782 F CB 0.479 39.539 39.000 0.101 0.000 1.317 782 F HN 0.348 nan 8.300 nan 0.000 0.545 783 T N -0.206 114.434 114.554 0.142 0.000 3.139 783 T HA -0.076 4.273 4.350 -0.001 0.000 0.226 783 T C 1.796 176.559 174.700 0.105 0.000 1.010 783 T CA 1.275 63.439 62.100 0.106 0.000 1.487 783 T CB -0.009 68.894 68.868 0.058 0.000 1.204 783 T HN 0.519 nan 8.240 nan 0.000 0.437 784 E N 1.191 121.438 120.200 0.077 0.000 2.367 784 E HA 0.078 4.428 4.350 -0.001 0.000 0.204 784 E C 0.057 176.701 176.600 0.073 0.000 0.840 784 E CA -0.285 56.160 56.400 0.075 0.000 1.051 784 E CB -0.183 29.550 29.700 0.054 0.000 1.051 784 E HN 0.472 nan 8.360 nan 0.000 0.509 785 N N 0.976 119.708 118.700 0.053 0.000 2.434 785 N HA 0.117 4.857 4.740 -0.001 0.000 0.272 785 N C 0.075 175.612 175.510 0.045 0.000 1.040 785 N CA -0.437 52.640 53.050 0.045 0.000 0.956 785 N CB 1.863 40.364 38.487 0.024 0.000 1.108 785 N HN 0.064 nan 8.380 nan 0.000 0.481 786 E N 1.504 121.745 120.200 0.068 0.000 2.330 786 E HA -0.055 4.295 4.350 -0.001 0.000 0.200 786 E C 1.268 177.911 176.600 0.071 0.000 0.922 786 E CA 0.876 57.331 56.400 0.092 0.000 0.935 786 E CB -0.168 29.625 29.700 0.155 0.000 0.917 786 E HN 0.774 nan 8.360 nan 0.000 0.491 787 T N 0.684 115.270 114.554 0.053 0.000 2.427 787 T HA -0.352 3.997 4.350 -0.001 0.000 0.244 787 T C 1.700 176.420 174.700 0.033 0.000 1.325 787 T CA 2.055 64.178 62.100 0.039 0.000 1.173 787 T CB -1.237 67.647 68.868 0.027 0.000 0.859 787 T HN 0.390 nan 8.240 nan 0.000 0.415 788 D N 1.237 121.644 120.400 0.012 0.000 2.310 788 D HA -0.133 4.506 4.640 -0.001 0.000 0.212 788 D C 2.005 178.294 176.300 -0.018 0.000 0.965 788 D CA 0.869 54.865 54.000 -0.008 0.000 0.879 788 D CB -0.792 39.998 40.800 -0.018 0.000 0.921 788 D HN 0.398 nan 8.370 nan 0.000 0.510 789 N N 0.215 118.909 118.700 -0.011 0.000 2.061 789 N HA -0.214 4.526 4.740 -0.001 0.000 0.193 789 N C 1.502 177.010 175.510 -0.002 0.000 1.030 789 N CA 0.878 53.912 53.050 -0.028 0.000 0.856 789 N CB -0.592 37.862 38.487 -0.056 0.000 1.023 789 N HN 0.226 nan 8.380 nan 0.000 0.424 790 F N 2.012 121.805 119.950 -0.261 0.000 2.098 790 F HA -0.003 4.524 4.527 -0.001 0.000 0.294 790 F C 2.308 177.996 175.800 -0.186 0.000 1.107 790 F CA 1.238 58.955 58.000 -0.472 0.000 1.234 790 F CB -0.574 38.037 39.000 -0.648 0.000 1.002 790 F HN 0.073 nan 8.300 nan 0.000 0.472 791 E N -0.289 119.824 120.200 -0.145 0.000 2.169 791 E HA -0.253 4.096 4.350 -0.001 0.000 0.202 791 E C 2.246 178.708 176.600 -0.229 0.000 1.016 791 E CA 1.779 58.061 56.400 -0.198 0.000 0.817 791 E CB -0.457 29.193 29.700 -0.083 0.000 0.736 791 E HN 0.300 nan 8.360 nan 0.000 0.462 792 V N 1.056 120.883 119.914 -0.146 0.000 2.216 792 V HA -0.262 3.858 4.120 -0.001 0.000 0.242 792 V C 1.963 177.984 176.094 -0.122 0.000 1.042 792 V CA 1.966 64.205 62.300 -0.102 0.000 0.991 792 V CB -0.753 31.047 31.823 -0.037 0.000 0.633 792 V HN 0.274 nan 8.190 nan 0.000 0.449 793 F N 1.072 120.898 119.950 -0.206 0.000 2.094 793 F HA -0.359 4.167 4.527 -0.001 0.000 0.296 793 F C 2.517 178.165 175.800 -0.253 0.000 1.070 793 F CA 2.554 60.458 58.000 -0.160 0.000 1.255 793 F CB -0.720 38.228 39.000 -0.087 0.000 1.000 793 F HN 0.279 nan 8.300 nan 0.000 0.490 794 Q N 1.092 120.466 119.800 -0.709 0.000 1.895 794 Q HA -0.295 4.044 4.340 -0.001 0.000 0.217 794 Q C 2.307 178.015 176.000 -0.487 0.000 1.003 794 Q CA 2.526 57.888 55.803 -0.736 0.000 0.871 794 Q CB -0.645 27.736 28.738 -0.595 0.000 0.941 794 Q HN 0.542 nan 8.270 nan 0.000 0.421 795 K N 0.072 120.280 120.400 -0.321 0.000 2.144 795 K HA -0.181 4.139 4.320 -0.001 0.000 0.209 795 K C 2.121 178.602 176.600 -0.200 0.000 1.047 795 K CA 1.647 57.805 56.287 -0.216 0.000 0.927 795 K CB -0.352 32.056 32.500 -0.153 0.000 0.716 795 K HN 0.383 nan 8.250 nan 0.000 0.454 796 I N 1.204 121.647 120.570 -0.210 0.000 2.502 796 I HA -0.229 3.940 4.170 -0.001 0.000 0.258 796 I C 2.103 178.123 176.117 -0.163 0.000 1.172 796 I CA 1.465 62.681 61.300 -0.140 0.000 1.430 796 I CB -0.970 36.999 38.000 -0.052 0.000 1.086 796 I HN 0.291 nan 8.210 nan 0.000 0.440 797 I N -2.842 117.559 120.570 -0.282 0.000 3.941 797 I HA 0.307 4.477 4.170 -0.001 0.000 0.335 797 I C -0.062 175.956 176.117 -0.166 0.000 1.402 797 I CA -0.239 60.927 61.300 -0.224 0.000 1.112 797 I CB 0.100 37.900 38.000 -0.334 0.000 1.043 797 I HN -0.135 nan 8.210 nan 0.000 0.395 798 D N 0.000 120.305 120.400 -0.158 0.000 6.856 798 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 798 D CA 0.000 53.929 54.000 -0.119 0.000 0.868 798 D CB 0.000 40.720 40.800 -0.133 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683