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 1xfx_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 0.000 175.499 175.510 -0.019 0.000 1.280 64 N CA 0.000 53.039 53.050 -0.019 0.000 0.885 64 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 65 N N 1.355 120.045 118.700 -0.017 0.000 2.406 65 N HA 0.029 4.769 4.740 -0.001 0.000 0.274 65 N C 1.244 176.731 175.510 -0.038 0.000 1.249 65 N CA -0.265 52.774 53.050 -0.018 0.000 0.951 65 N CB 0.629 39.110 38.487 -0.010 0.000 1.241 65 N HN 0.450 nan 8.380 nan 0.000 0.485 66 L N 4.118 125.321 121.223 -0.034 0.000 2.013 66 L HA -0.047 4.293 4.340 -0.001 0.000 0.212 66 L C 0.578 177.382 176.870 -0.110 0.000 1.073 66 L CA 1.589 56.399 54.840 -0.049 0.000 0.753 66 L CB -0.092 41.955 42.059 -0.020 0.000 0.890 66 L HN 0.372 nan 8.230 nan 0.000 0.432 67 V N 0.527 120.398 119.914 -0.072 0.000 2.481 67 V HA 0.446 4.566 4.120 -0.001 0.000 0.286 67 V C -0.532 175.528 176.094 -0.055 0.000 1.042 67 V CA -0.669 61.589 62.300 -0.070 0.000 0.928 67 V CB 1.233 33.099 31.823 0.070 0.000 0.986 67 V HN 0.331 nan 8.190 nan 0.000 0.462 68 K N 3.868 124.205 120.400 -0.105 0.000 2.413 68 K HA 0.533 4.853 4.320 -0.001 0.000 0.257 68 K C -0.550 176.143 176.600 0.155 0.000 0.946 68 K CA -0.236 56.053 56.287 0.003 0.000 0.823 68 K CB 1.848 34.323 32.500 -0.042 0.000 1.109 68 K HN 0.867 nan 8.250 nan 0.000 0.427 69 T N 0.146 114.806 114.554 0.176 0.000 2.738 69 T HA 0.243 4.592 4.350 -0.001 0.000 0.298 69 T C 0.807 175.628 174.700 0.201 0.000 0.962 69 T CA -0.759 61.470 62.100 0.216 0.000 0.972 69 T CB 1.412 70.371 68.868 0.150 0.000 0.928 69 T HN 0.430 nan 8.240 nan 0.000 0.474 70 E N 2.826 123.168 120.200 0.236 0.000 1.997 70 E HA 0.125 4.475 4.350 -0.001 0.000 0.196 70 E C -0.342 176.391 176.600 0.222 0.000 0.990 70 E CA 0.723 57.242 56.400 0.197 0.000 0.845 70 E CB 0.043 29.855 29.700 0.188 0.000 0.795 70 E HN 0.748 nan 8.360 nan 0.000 0.479 71 F N 1.041 121.037 119.950 0.076 0.000 2.404 71 F HA 0.148 4.675 4.527 -0.000 0.000 0.358 71 F C 0.181 176.003 175.800 0.036 0.000 1.120 71 F CA -0.438 57.592 58.000 0.050 0.000 1.144 71 F CB 0.890 39.918 39.000 0.046 0.000 1.133 71 F HN 0.077 nan 8.300 nan 0.000 0.495 72 T N 1.104 115.864 114.554 0.344 0.000 3.285 72 T HA 0.102 4.451 4.350 -0.001 0.000 0.232 72 T C 0.502 175.191 174.700 -0.018 0.000 0.973 72 T CA -0.465 61.700 62.100 0.109 0.000 1.023 72 T CB -0.308 68.620 68.868 0.099 0.000 1.158 72 T HN 0.622 nan 8.240 nan 0.000 0.590 73 N N 1.509 120.042 118.700 -0.279 0.000 2.176 73 N HA 0.022 4.762 4.740 -0.001 0.000 0.187 73 N C 0.269 175.582 175.510 -0.328 0.000 1.043 73 N CA 0.755 53.452 53.050 -0.588 0.000 0.851 73 N CB 0.136 37.736 38.487 -1.477 0.000 1.018 73 N HN 0.474 nan 8.380 nan 0.000 0.436 74 E N 0.216 120.245 120.200 -0.285 0.000 2.390 74 E HA 0.087 4.437 4.350 -0.001 0.000 0.261 74 E C 0.497 177.006 176.600 -0.151 0.000 1.076 74 E CA -0.128 56.150 56.400 -0.204 0.000 0.905 74 E CB 0.694 30.268 29.700 -0.210 0.000 0.984 74 E HN 0.391 nan 8.360 nan 0.000 0.427 75 T N 0.003 114.484 114.554 -0.123 0.000 2.905 75 T HA -0.073 4.277 4.350 -0.001 0.000 0.400 75 T C 1.575 176.216 174.700 -0.098 0.000 1.098 75 T CA -0.640 61.408 62.100 -0.087 0.000 1.095 75 T CB 0.174 69.007 68.868 -0.058 0.000 1.281 75 T HN 0.232 nan 8.240 nan 0.000 0.515 76 L N 0.956 122.135 121.223 -0.073 0.000 2.064 76 L HA -0.217 4.123 4.340 -0.001 0.000 0.216 76 L C 2.464 179.265 176.870 -0.115 0.000 1.077 76 L CA 2.202 56.997 54.840 -0.075 0.000 0.766 76 L CB -2.075 39.954 42.059 -0.050 0.000 0.890 76 L HN 0.659 nan 8.230 nan 0.000 0.435 77 D N 0.181 120.492 120.400 -0.148 0.000 2.347 77 D HA -0.291 4.349 4.640 -0.001 0.000 0.189 77 D C 2.070 178.226 176.300 -0.240 0.000 1.020 77 D CA 2.270 56.121 54.000 -0.249 0.000 0.875 77 D CB -0.158 40.382 40.800 -0.433 0.000 0.928 77 D HN 0.425 nan 8.370 nan 0.000 0.454 78 K N 0.785 121.058 120.400 -0.210 0.000 1.984 78 K HA -0.066 4.254 4.320 -0.001 0.000 0.209 78 K C 2.236 178.730 176.600 -0.177 0.000 1.046 78 K CA 1.011 57.190 56.287 -0.181 0.000 0.934 78 K CB -0.590 31.821 32.500 -0.148 0.000 0.717 78 K HN 0.179 nan 8.250 nan 0.000 0.438 79 I N 0.852 121.335 120.570 -0.145 0.000 2.058 79 I HA -0.271 3.898 4.170 -0.001 0.000 0.235 79 I C 2.285 178.311 176.117 -0.150 0.000 1.053 79 I CA 1.604 62.820 61.300 -0.139 0.000 1.313 79 I CB -0.603 37.344 38.000 -0.088 0.000 1.039 79 I HN 0.344 nan 8.210 nan 0.000 0.396 80 Q N 0.676 120.406 119.800 -0.116 0.000 2.658 80 Q HA -0.211 4.128 4.340 -0.001 0.000 0.219 80 Q C 1.416 177.350 176.000 -0.110 0.000 0.966 80 Q CA 1.101 56.846 55.803 -0.095 0.000 0.988 80 Q CB -0.220 28.477 28.738 -0.069 0.000 0.999 80 Q HN 0.543 nan 8.270 nan 0.000 0.591 81 Q N -2.627 117.078 119.800 -0.158 0.000 2.620 81 Q HA -0.011 4.329 4.340 -0.001 0.000 0.232 81 Q C 1.654 177.507 176.000 -0.246 0.000 0.836 81 Q CA 0.782 56.485 55.803 -0.166 0.000 0.938 81 Q CB 0.218 28.852 28.738 -0.172 0.000 1.242 81 Q HN 0.517 nan 8.270 nan 0.000 0.624 82 T N -0.545 113.771 114.554 -0.397 0.000 2.684 82 T HA -0.207 4.143 4.350 -0.001 0.000 0.267 82 T C 1.706 176.155 174.700 -0.419 0.000 1.036 82 T CA 1.551 63.200 62.100 -0.751 0.000 1.148 82 T CB -0.398 67.817 68.868 -1.089 0.000 0.863 82 T HN 0.289 nan 8.240 nan 0.000 0.436 83 Q N 1.071 120.725 119.800 -0.243 0.000 1.956 83 Q HA -0.179 4.161 4.340 -0.001 0.000 0.208 83 Q C 2.377 178.338 176.000 -0.065 0.000 0.998 83 Q CA 1.916 57.651 55.803 -0.112 0.000 0.855 83 Q CB -0.500 28.192 28.738 -0.076 0.000 0.928 83 Q HN 0.497 nan 8.270 nan 0.000 0.418 84 D N 0.522 120.884 120.400 -0.063 0.000 2.218 84 D HA -0.195 4.445 4.640 -0.001 0.000 0.194 84 D C 1.800 178.105 176.300 0.009 0.000 1.007 84 D CA 0.971 54.956 54.000 -0.024 0.000 0.879 84 D CB -0.234 40.548 40.800 -0.030 0.000 0.918 84 D HN 0.058 nan 8.370 nan 0.000 0.449 85 L N 0.106 121.327 121.223 -0.004 0.000 1.976 85 L HA -0.107 4.233 4.340 -0.001 0.000 0.209 85 L C 2.395 179.371 176.870 0.177 0.000 1.071 85 L CA 1.406 56.312 54.840 0.110 0.000 0.746 85 L CB -0.640 41.475 42.059 0.095 0.000 0.890 85 L HN 0.081 nan 8.230 nan 0.000 0.432 86 L N -0.536 120.780 121.223 0.156 0.000 2.141 86 L HA -0.192 4.148 4.340 -0.001 0.000 0.209 86 L C 2.370 179.283 176.870 0.071 0.000 1.094 86 L CA 1.285 56.209 54.840 0.140 0.000 0.763 86 L CB -0.699 41.449 42.059 0.148 0.000 0.908 86 L HN 0.360 nan 8.230 nan 0.000 0.437 87 K N 0.543 120.975 120.400 0.053 0.000 2.442 87 K HA -0.192 4.128 4.320 -0.001 0.000 0.198 87 K C 2.057 178.693 176.600 0.060 0.000 1.044 87 K CA 1.057 57.370 56.287 0.044 0.000 0.948 87 K CB -0.131 32.387 32.500 0.030 0.000 0.762 87 K HN 0.165 nan 8.250 nan 0.000 0.472 88 K N 1.906 122.349 120.400 0.073 0.000 2.211 88 K HA 0.040 4.359 4.320 -0.001 0.000 0.201 88 K C 0.302 176.963 176.600 0.102 0.000 1.052 88 K CA 0.196 56.544 56.287 0.101 0.000 0.973 88 K CB 0.074 32.638 32.500 0.105 0.000 0.766 88 K HN 0.247 nan 8.250 nan 0.000 0.466 89 I N 5.442 126.019 120.570 0.011 0.000 2.416 89 I HA 0.117 4.286 4.170 -0.001 0.000 0.288 89 I C -2.029 174.035 176.117 -0.088 0.000 1.051 89 I CA -2.244 58.967 61.300 -0.148 0.000 1.375 89 I CB 0.950 38.875 38.000 -0.125 0.000 1.407 89 I HN 0.033 nan 8.210 nan 0.000 0.516 90 P HA -0.045 nan 4.420 nan 0.000 0.262 90 P C 0.231 177.548 177.300 0.028 0.000 1.199 90 P CA -0.173 62.963 63.100 0.060 0.000 0.763 90 P CB 0.865 32.710 31.700 0.242 0.000 0.790 91 K N 3.318 123.746 120.400 0.047 0.000 2.227 91 K HA -0.229 4.091 4.320 -0.001 0.000 0.208 91 K C 1.246 177.857 176.600 0.019 0.000 1.045 91 K CA 2.007 58.311 56.287 0.029 0.000 0.931 91 K CB -0.425 32.101 32.500 0.042 0.000 0.721 91 K HN 0.449 nan 8.250 nan 0.000 0.469 92 D N -0.960 119.472 120.400 0.052 0.000 2.137 92 D HA -0.112 4.527 4.640 -0.001 0.000 0.202 92 D C 1.825 178.080 176.300 -0.075 0.000 0.970 92 D CA 1.057 55.083 54.000 0.043 0.000 0.837 92 D CB -0.392 40.505 40.800 0.162 0.000 0.981 92 D HN 0.086 nan 8.370 nan 0.000 0.475 93 V N 1.368 121.174 119.914 -0.181 0.000 2.568 93 V HA -0.207 3.912 4.120 -0.001 0.000 0.253 93 V C 2.210 178.171 176.094 -0.222 0.000 1.072 93 V CA 1.251 63.300 62.300 -0.419 0.000 1.084 93 V CB -0.316 31.248 31.823 -0.432 0.000 0.676 93 V HN 0.143 nan 8.190 nan 0.000 0.469 94 L N -0.907 120.240 121.223 -0.127 0.000 2.127 94 L HA 0.001 4.341 4.340 -0.001 0.000 0.203 94 L C 2.682 179.544 176.870 -0.014 0.000 1.080 94 L CA 1.138 55.934 54.840 -0.073 0.000 0.768 94 L CB -0.760 41.262 42.059 -0.061 0.000 0.924 94 L HN 0.221 nan 8.230 nan 0.000 0.444 95 E N 0.666 120.849 120.200 -0.028 0.000 2.160 95 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 95 E C 2.216 178.796 176.600 -0.034 0.000 0.991 95 E CA 1.261 57.649 56.400 -0.019 0.000 0.810 95 E CB -0.131 29.562 29.700 -0.011 0.000 0.742 95 E HN 0.557 nan 8.360 nan 0.000 0.466 96 I N -0.265 120.268 120.570 -0.062 0.000 2.394 96 I HA -0.255 3.915 4.170 -0.001 0.000 0.251 96 I C 2.297 178.357 176.117 -0.096 0.000 1.136 96 I CA 0.836 62.081 61.300 -0.092 0.000 1.425 96 I CB -0.323 37.584 38.000 -0.156 0.000 1.079 96 I HN 0.028 nan 8.210 nan 0.000 0.425 97 Y N 2.092 122.287 120.300 -0.174 0.000 2.084 97 Y HA -0.311 4.239 4.550 -0.001 0.000 0.279 97 Y C 3.082 178.902 175.900 -0.132 0.000 1.119 97 Y CA 2.036 60.034 58.100 -0.170 0.000 1.101 97 Y CB -0.510 37.838 38.460 -0.188 0.000 0.989 97 Y HN 0.209 nan 8.280 nan 0.000 0.484 98 S N -0.243 115.488 115.700 0.051 0.000 2.380 98 S HA -0.318 4.152 4.470 -0.001 0.000 0.229 98 S C 1.911 176.466 174.600 -0.075 0.000 1.043 98 S CA 1.665 59.857 58.200 -0.014 0.000 1.038 98 S CB -0.726 62.474 63.200 -0.001 0.000 0.872 98 S HN 0.505 nan 8.310 nan 0.000 0.456 99 E N 1.781 121.934 120.200 -0.078 0.000 2.058 99 E HA -0.027 4.323 4.350 -0.001 0.000 0.194 99 E C 1.752 178.279 176.600 -0.122 0.000 0.997 99 E CA 1.268 57.616 56.400 -0.086 0.000 0.801 99 E CB -0.639 29.015 29.700 -0.076 0.000 0.746 99 E HN 0.691 nan 8.360 nan 0.000 0.450 100 L N -1.030 120.083 121.223 -0.183 0.000 2.633 100 L HA 0.088 4.428 4.340 -0.001 0.000 0.235 100 L C 1.553 178.291 176.870 -0.220 0.000 1.163 100 L CA 0.551 55.259 54.840 -0.221 0.000 0.859 100 L CB -0.496 41.370 42.059 -0.322 0.000 0.973 100 L HN 0.457 nan 8.230 nan 0.000 0.451 101 G N -0.560 108.131 108.800 -0.181 0.000 2.176 101 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.253 101 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.253 101 G C 0.662 175.467 174.900 -0.158 0.000 0.979 101 G CA -0.150 44.865 45.100 -0.141 0.000 0.641 101 G HN 0.550 nan 8.290 nan 0.000 0.530 102 G N -0.328 108.299 108.800 -0.288 0.000 2.664 102 G HA2 0.503 4.462 3.960 -0.001 0.000 0.242 102 G HA3 0.503 4.462 3.960 -0.001 0.000 0.242 102 G C -0.126 174.784 174.900 0.016 0.000 1.225 102 G CA 0.523 45.463 45.100 -0.266 0.000 0.849 102 G HN 0.630 nan 8.290 nan 0.000 0.581 103 E N -0.908 119.345 120.200 0.088 0.000 2.383 103 E HA 0.454 4.803 4.350 -0.001 0.000 0.275 103 E C -0.918 175.570 176.600 -0.187 0.000 0.918 103 E CA -0.668 55.677 56.400 -0.093 0.000 0.764 103 E CB 2.577 32.131 29.700 -0.243 0.000 1.252 103 E HN 0.331 nan 8.360 nan 0.000 0.449 104 I N 1.952 122.298 120.570 -0.373 0.000 2.441 104 I HA 0.347 4.516 4.170 -0.001 0.000 0.295 104 I C -1.102 174.656 176.117 -0.598 0.000 0.994 104 I CA -0.829 60.209 61.300 -0.438 0.000 1.144 104 I CB 0.997 38.731 38.000 -0.442 0.000 1.314 104 I HN 0.458 nan 8.210 nan 0.000 0.445 105 Y N 5.259 125.391 120.300 -0.280 0.000 2.328 105 Y HA 0.437 4.987 4.550 -0.001 0.000 0.333 105 Y C -0.654 175.069 175.900 -0.295 0.000 0.958 105 Y CA -0.563 57.420 58.100 -0.194 0.000 1.167 105 Y CB 1.333 39.754 38.460 -0.065 0.000 1.151 105 Y HN 0.313 nan 8.280 nan 0.000 0.470 106 F N 2.286 122.333 119.950 0.161 0.000 2.402 106 F HA 0.481 5.008 4.527 -0.001 0.000 0.355 106 F C 0.364 176.241 175.800 0.129 0.000 1.123 106 F CA -0.965 57.087 58.000 0.087 0.000 1.021 106 F CB 1.499 40.515 39.000 0.027 0.000 1.160 106 F HN 0.357 nan 8.300 nan 0.000 0.451 107 T N -0.697 114.035 114.554 0.297 0.000 2.916 107 T HA 0.455 4.804 4.350 -0.001 0.000 0.292 107 T C -0.257 174.580 174.700 0.228 0.000 1.064 107 T CA -0.864 61.382 62.100 0.244 0.000 1.011 107 T CB 2.356 71.336 68.868 0.186 0.000 1.152 107 T HN 0.315 nan 8.240 nan 0.000 0.510 108 D N -0.066 120.493 120.400 0.266 0.000 2.206 108 D HA 0.166 4.806 4.640 -0.001 0.000 0.272 108 D C 0.562 176.981 176.300 0.199 0.000 1.196 108 D CA -1.040 53.100 54.000 0.233 0.000 1.012 108 D CB 0.078 41.114 40.800 0.393 0.000 1.139 108 D HN 0.666 nan 8.370 nan 0.000 0.522 109 I N 1.055 121.730 120.570 0.176 0.000 2.992 109 I HA -0.041 4.129 4.170 -0.001 0.000 0.309 109 I C -0.500 175.700 176.117 0.137 0.000 1.170 109 I CA 0.763 62.143 61.300 0.132 0.000 1.862 109 I CB -0.848 37.210 38.000 0.097 0.000 1.579 109 I HN 0.095 nan 8.210 nan 0.000 0.885 110 D N 5.111 125.598 120.400 0.144 0.000 2.468 110 D HA 0.271 4.911 4.640 -0.001 0.000 0.272 110 D C 0.687 177.076 176.300 0.148 0.000 1.221 110 D CA -0.398 53.694 54.000 0.152 0.000 0.860 110 D CB 1.092 41.997 40.800 0.175 0.000 1.190 110 D HN 0.260 nan 8.370 nan 0.000 0.509 111 L N -0.293 120.995 121.223 0.107 0.000 2.007 111 L HA 0.019 4.359 4.340 -0.001 0.000 0.205 111 L C 1.158 178.124 176.870 0.161 0.000 1.073 111 L CA 0.866 55.786 54.840 0.135 0.000 0.744 111 L CB -0.307 41.802 42.059 0.083 0.000 0.898 111 L HN 0.166 nan 8.230 nan 0.000 0.435 112 V N -0.569 119.391 119.914 0.075 0.000 3.751 112 V HA -0.071 4.049 4.120 -0.001 0.000 0.274 112 V C 0.631 176.778 176.094 0.089 0.000 0.960 112 V CA -0.555 61.760 62.300 0.024 0.000 0.960 112 V CB 0.017 31.782 31.823 -0.096 0.000 1.244 112 V HN 0.277 nan 8.190 nan 0.000 0.417 113 E N -0.127 120.041 120.200 -0.053 0.000 3.259 113 E HA -0.030 4.320 4.350 -0.001 0.000 0.307 113 E C 0.045 176.721 176.600 0.127 0.000 1.375 113 E CA 0.319 56.725 56.400 0.010 0.000 1.472 113 E CB -0.429 29.192 29.700 -0.132 0.000 1.174 113 E HN 0.616 nan 8.360 nan 0.000 0.473 114 H N 0.201 119.279 119.070 0.012 0.000 3.058 114 H HA 0.199 4.755 4.556 -0.000 0.000 0.258 114 H C 0.209 175.539 175.328 0.003 0.000 1.015 114 H CA -0.013 56.037 56.048 0.002 0.000 1.210 114 H CB 0.639 30.406 29.762 0.009 0.000 1.481 114 H HN -0.028 nan 8.280 nan 0.000 0.492 115 K N 1.480 121.930 120.400 0.082 0.000 2.355 115 K HA -0.039 4.281 4.320 -0.001 0.000 0.270 115 K C 1.028 177.584 176.600 -0.073 0.000 1.003 115 K CA 0.360 56.646 56.287 -0.001 0.000 0.957 115 K CB 0.681 33.185 32.500 0.007 0.000 0.939 115 K HN 0.547 nan 8.250 nan 0.000 0.482 116 E N 2.600 122.726 120.200 -0.124 0.000 2.448 116 E HA -0.189 4.161 4.350 -0.001 0.000 0.203 116 E C 0.682 177.203 176.600 -0.131 0.000 1.046 116 E CA 0.940 57.259 56.400 -0.136 0.000 0.871 116 E CB 0.097 29.707 29.700 -0.150 0.000 0.790 116 E HN 0.304 nan 8.360 nan 0.000 0.545 117 L N 0.351 121.493 121.223 -0.136 0.000 3.259 117 L HA 0.175 4.515 4.340 -0.001 0.000 0.292 117 L C 0.952 177.824 176.870 0.005 0.000 1.219 117 L CA 0.199 54.984 54.840 -0.091 0.000 1.035 117 L CB 0.953 42.905 42.059 -0.178 0.000 1.424 117 L HN 0.085 nan 8.230 nan 0.000 0.603 118 Q N 0.256 120.071 119.800 0.025 0.000 2.228 118 Q HA 0.149 4.489 4.340 -0.001 0.000 0.211 118 Q C -0.366 175.695 176.000 0.102 0.000 0.890 118 Q CA 0.184 56.054 55.803 0.112 0.000 0.953 118 Q CB 0.457 29.280 28.738 0.141 0.000 1.053 118 Q HN 0.346 nan 8.270 nan 0.000 0.471 119 D N -0.565 119.868 120.400 0.055 0.000 2.549 119 D HA 0.109 4.749 4.640 -0.001 0.000 0.270 119 D C 0.140 176.475 176.300 0.058 0.000 1.181 119 D CA -0.803 53.219 54.000 0.038 0.000 1.070 119 D CB 0.823 41.622 40.800 -0.000 0.000 1.154 119 D HN -0.067 nan 8.370 nan 0.000 0.602 120 L N 1.655 122.901 121.223 0.039 0.000 2.891 120 L HA -0.026 4.313 4.340 -0.001 0.000 0.290 120 L C -0.394 176.506 176.870 0.049 0.000 1.093 120 L CA 1.415 56.282 54.840 0.045 0.000 1.108 120 L CB -1.974 40.100 42.059 0.025 0.000 1.488 120 L HN 0.278 nan 8.230 nan 0.000 0.447 121 S N 2.488 118.230 115.700 0.071 0.000 3.359 121 S HA 0.307 4.776 4.470 -0.001 0.000 0.323 121 S C -0.812 173.835 174.600 0.080 0.000 1.143 121 S CA -0.777 57.461 58.200 0.062 0.000 0.989 121 S CB 0.967 64.203 63.200 0.060 0.000 1.375 121 S HN 0.608 nan 8.310 nan 0.000 0.728 122 E N 3.037 123.282 120.200 0.076 0.000 2.406 122 E HA 0.039 4.389 4.350 -0.001 0.000 0.247 122 E C 0.163 176.849 176.600 0.144 0.000 1.160 122 E CA 0.225 56.676 56.400 0.086 0.000 0.950 122 E CB -0.290 29.445 29.700 0.060 0.000 0.993 122 E HN 0.639 nan 8.360 nan 0.000 0.472 123 E N 3.148 123.437 120.200 0.149 0.000 3.055 123 E HA 0.213 4.563 4.350 -0.001 0.000 0.224 123 E C -0.539 176.167 176.600 0.176 0.000 0.662 123 E CA -0.785 55.736 56.400 0.202 0.000 1.557 123 E CB -0.055 29.756 29.700 0.185 0.000 1.888 123 E HN 0.258 nan 8.360 nan 0.000 0.399 124 E N 0.726 121.016 120.200 0.149 0.000 2.220 124 E HA 0.035 4.385 4.350 -0.001 0.000 0.272 124 E C 0.196 176.854 176.600 0.098 0.000 1.099 124 E CA 0.137 56.609 56.400 0.121 0.000 0.907 124 E CB 0.563 30.330 29.700 0.112 0.000 1.022 124 E HN 0.288 nan 8.360 nan 0.000 0.428 125 K N 2.791 123.244 120.400 0.089 0.000 2.273 125 K HA 0.206 4.525 4.320 -0.001 0.000 0.206 125 K C -0.180 176.456 176.600 0.060 0.000 1.072 125 K CA 0.427 56.754 56.287 0.068 0.000 0.953 125 K CB 0.280 32.816 32.500 0.060 0.000 1.043 125 K HN 0.402 nan 8.250 nan 0.000 0.477 126 N N -0.910 117.830 118.700 0.066 0.000 2.381 126 N HA 0.211 4.951 4.740 -0.001 0.000 0.294 126 N C -1.209 174.344 175.510 0.072 0.000 1.216 126 N CA -0.333 52.754 53.050 0.061 0.000 0.803 126 N CB 1.991 40.513 38.487 0.057 0.000 1.372 126 N HN -0.276 nan 8.380 nan 0.000 0.500 127 S N 1.067 116.805 115.700 0.064 0.000 2.835 127 S HA 0.241 4.711 4.470 -0.001 0.000 0.194 127 S C -0.362 174.277 174.600 0.064 0.000 1.364 127 S CA -0.501 57.738 58.200 0.065 0.000 1.167 127 S CB -0.575 62.656 63.200 0.052 0.000 1.223 127 S HN 0.441 nan 8.310 nan 0.000 0.512 128 M N 0.370 120.024 119.600 0.089 0.000 2.325 128 M HA 0.465 4.945 4.480 -0.001 0.000 0.305 128 M C -0.155 176.222 176.300 0.128 0.000 1.047 128 M CA -0.434 54.911 55.300 0.075 0.000 0.981 128 M CB -0.067 32.609 32.600 0.128 0.000 1.307 128 M HN 0.077 nan 8.290 nan 0.000 0.418 129 N N 1.369 120.129 118.700 0.100 0.000 2.220 129 N HA 0.012 4.752 4.740 -0.001 0.000 0.193 129 N C 0.911 176.532 175.510 0.184 0.000 1.052 129 N CA 1.198 54.330 53.050 0.136 0.000 0.898 129 N CB 0.312 38.857 38.487 0.096 0.000 1.080 129 N HN 0.723 nan 8.380 nan 0.000 0.467 130 S N 0.522 116.326 115.700 0.174 0.000 2.397 130 S HA 0.186 4.656 4.470 -0.001 0.000 0.261 130 S C 1.214 176.036 174.600 0.370 0.000 1.187 130 S CA -0.573 57.824 58.200 0.329 0.000 1.023 130 S CB 0.715 64.001 63.200 0.143 0.000 1.103 130 S HN 0.262 nan 8.310 nan 0.000 0.474 131 R N 0.821 121.675 120.500 0.590 0.000 2.109 131 R HA -0.006 4.334 4.340 -0.001 0.000 0.227 131 R C 1.173 177.591 176.300 0.196 0.000 1.132 131 R CA 1.526 57.819 56.100 0.321 0.000 0.907 131 R CB -1.244 29.245 30.300 0.316 0.000 0.825 131 R HN 0.732 nan 8.270 nan 0.000 0.432 132 G N 0.278 109.200 108.800 0.204 0.000 2.537 132 G HA2 0.163 4.122 3.960 -0.001 0.000 0.273 132 G HA3 0.163 4.122 3.960 -0.001 0.000 0.273 132 G C -1.078 173.870 174.900 0.081 0.000 1.189 132 G CA -0.524 44.641 45.100 0.109 0.000 0.881 132 G HN 0.483 nan 8.290 nan 0.000 0.535 133 E N -0.377 119.844 120.200 0.034 0.000 2.301 133 E HA 0.455 4.804 4.350 -0.001 0.000 0.275 133 E C 0.452 177.072 176.600 0.032 0.000 1.030 133 E CA -0.433 55.984 56.400 0.028 0.000 0.852 133 E CB 1.890 31.588 29.700 -0.002 0.000 1.060 133 E HN 0.429 nan 8.360 nan 0.000 0.401 134 K N 2.640 123.059 120.400 0.031 0.000 2.638 134 K HA 0.184 4.504 4.320 -0.001 0.000 0.207 134 K C 0.048 176.663 176.600 0.026 0.000 1.429 134 K CA 0.423 56.722 56.287 0.020 0.000 0.957 134 K CB 0.574 33.073 32.500 -0.001 0.000 1.733 134 K HN 0.363 nan 8.250 nan 0.000 0.474 135 V N 2.001 121.931 119.914 0.027 0.000 3.444 135 V HA -0.113 4.007 4.120 -0.001 0.000 0.197 135 V C -2.587 173.542 176.094 0.058 0.000 0.437 135 V CA 1.100 63.423 62.300 0.037 0.000 1.061 135 V CB -0.776 31.076 31.823 0.048 0.000 1.198 135 V HN 0.390 nan 8.190 nan 0.000 1.198 136 P HA 0.106 nan 4.420 nan 0.000 0.243 136 P C 1.348 178.733 177.300 0.141 0.000 1.668 136 P CA 0.107 63.250 63.100 0.072 0.000 0.898 136 P CB -0.289 31.434 31.700 0.039 0.000 1.637 137 F N 2.378 122.296 119.950 -0.053 0.000 2.379 137 F HA -0.490 4.036 4.527 -0.001 0.000 0.267 137 F C 2.134 177.896 175.800 -0.063 0.000 1.168 137 F CA 2.294 60.239 58.000 -0.092 0.000 1.513 137 F CB -1.156 37.767 39.000 -0.128 0.000 0.811 137 F HN 0.200 nan 8.300 nan 0.000 0.507 138 A N -0.608 122.379 122.820 0.279 0.000 2.117 138 A HA -0.331 3.989 4.320 -0.001 0.000 0.224 138 A C 1.705 179.365 177.584 0.126 0.000 1.167 138 A CA 2.355 54.446 52.037 0.090 0.000 0.664 138 A CB -1.202 17.775 19.000 -0.037 0.000 0.811 138 A HN 0.773 nan 8.150 nan 0.000 0.470 139 S N -1.289 114.488 115.700 0.127 0.000 2.602 139 S HA 0.397 4.867 4.470 -0.001 0.000 0.246 139 S C 0.406 175.070 174.600 0.108 0.000 1.009 139 S CA -0.680 57.564 58.200 0.074 0.000 1.052 139 S CB 0.059 63.277 63.200 0.030 0.000 0.778 139 S HN 0.360 nan 8.310 nan 0.000 0.455 140 R N 0.731 121.349 120.500 0.196 0.000 2.828 140 R HA 0.550 4.890 4.340 -0.001 0.000 0.264 140 R C -0.073 176.470 176.300 0.406 0.000 1.022 140 R CA -0.940 55.326 56.100 0.276 0.000 1.021 140 R CB 1.111 31.479 30.300 0.113 0.000 1.163 140 R HN 0.472 nan 8.270 nan 0.000 0.494 141 F N -2.348 117.651 119.950 0.081 0.000 2.975 141 F HA 0.404 4.930 4.527 -0.001 0.000 0.366 141 F C -0.471 175.402 175.800 0.122 0.000 1.071 141 F CA -0.777 57.281 58.000 0.097 0.000 1.102 141 F CB 0.120 39.164 39.000 0.074 0.000 1.176 141 F HN -0.015 nan 8.300 nan 0.000 0.545 142 V N 2.259 122.046 119.914 -0.211 0.000 2.709 142 V HA 0.676 4.795 4.120 -0.001 0.000 0.308 142 V C -1.597 174.567 176.094 0.116 0.000 1.062 142 V CA -0.665 61.508 62.300 -0.212 0.000 0.901 142 V CB 2.401 33.973 31.823 -0.417 0.000 1.003 142 V HN 0.198 nan 8.190 nan 0.000 0.425 143 F N 3.065 122.971 119.950 -0.073 0.000 2.665 143 F HA 0.645 5.172 4.527 -0.001 0.000 0.308 143 F C -0.943 174.841 175.800 -0.027 0.000 1.112 143 F CA -0.841 57.118 58.000 -0.069 0.000 0.972 143 F CB 2.130 41.056 39.000 -0.124 0.000 1.295 143 F HN 0.574 nan 8.300 nan 0.000 0.440 144 E N 3.992 123.515 120.200 -1.128 0.000 2.114 144 E HA 0.255 4.604 4.350 -0.001 0.000 0.266 144 E C -1.192 174.835 176.600 -0.955 0.000 0.896 144 E CA -0.451 55.489 56.400 -0.767 0.000 0.750 144 E CB 1.246 30.671 29.700 -0.458 0.000 1.121 144 E HN 0.507 nan 8.360 nan 0.000 0.413 145 K N 5.102 125.242 120.400 -0.433 0.000 2.081 145 K HA -0.003 4.317 4.320 -0.001 0.000 0.230 145 K C 1.012 177.519 176.600 -0.155 0.000 1.199 145 K CA 0.185 56.355 56.287 -0.195 0.000 1.130 145 K CB -0.051 32.441 32.500 -0.013 0.000 1.386 145 K HN 0.605 nan 8.250 nan 0.000 0.280 146 K N 1.111 121.391 120.400 -0.200 0.000 2.148 146 K HA -0.343 3.976 4.320 -0.001 0.000 0.213 146 K C 1.726 178.279 176.600 -0.079 0.000 1.050 146 K CA 1.815 58.026 56.287 -0.126 0.000 0.932 146 K CB -0.162 32.287 32.500 -0.085 0.000 0.717 146 K HN 0.318 nan 8.250 nan 0.000 0.462 147 R N 0.460 120.933 120.500 -0.045 0.000 2.062 147 R HA -0.146 4.193 4.340 -0.001 0.000 0.231 147 R C 2.220 178.490 176.300 -0.050 0.000 1.136 147 R CA 2.054 58.131 56.100 -0.038 0.000 0.948 147 R CB -0.048 30.245 30.300 -0.011 0.000 0.845 147 R HN 0.502 nan 8.270 nan 0.000 0.430 148 E N -0.715 119.455 120.200 -0.050 0.000 2.343 148 E HA 0.021 4.371 4.350 -0.001 0.000 0.223 148 E C -0.126 176.422 176.600 -0.086 0.000 0.977 148 E CA 0.657 57.023 56.400 -0.057 0.000 1.027 148 E CB -0.269 29.409 29.700 -0.037 0.000 1.769 148 E HN 0.069 nan 8.360 nan 0.000 0.531 149 T N 1.860 116.365 114.554 -0.080 0.000 2.909 149 T HA 0.462 4.812 4.350 -0.001 0.000 0.289 149 T C -2.493 172.128 174.700 -0.132 0.000 1.005 149 T CA -2.171 59.858 62.100 -0.119 0.000 1.084 149 T CB 1.151 69.967 68.868 -0.087 0.000 0.975 149 T HN 0.087 nan 8.240 nan 0.000 0.509 150 P HA 0.355 nan 4.420 nan 0.000 0.281 150 P C -1.200 176.073 177.300 -0.046 0.000 1.252 150 P CA -0.530 62.452 63.100 -0.197 0.000 0.778 150 P CB 0.572 32.008 31.700 -0.440 0.000 0.895 151 K N 3.093 123.509 120.400 0.026 0.000 2.521 151 K HA 0.385 4.705 4.320 -0.001 0.000 0.248 151 K C -0.472 176.178 176.600 0.083 0.000 0.978 151 K CA -0.681 55.675 56.287 0.116 0.000 0.947 151 K CB 1.254 33.839 32.500 0.143 0.000 1.165 151 K HN 0.437 nan 8.250 nan 0.000 0.445 152 L N 5.095 126.366 121.223 0.080 0.000 2.276 152 L HA 0.496 4.836 4.340 -0.001 0.000 0.286 152 L C -1.035 175.829 176.870 -0.009 0.000 1.061 152 L CA -0.424 54.394 54.840 -0.037 0.000 0.807 152 L CB 0.475 42.420 42.059 -0.189 0.000 1.177 152 L HN 0.562 nan 8.230 nan 0.000 0.429 153 I N 6.366 126.954 120.570 0.030 0.000 2.436 153 I HA 0.442 4.612 4.170 -0.001 0.000 0.289 153 I C -0.812 175.311 176.117 0.010 0.000 1.010 153 I CA -0.577 60.764 61.300 0.070 0.000 1.098 153 I CB 1.772 39.864 38.000 0.154 0.000 1.266 153 I HN 0.443 nan 8.210 nan 0.000 0.434 154 I N 5.844 126.371 120.570 -0.071 0.000 2.686 154 I HA 0.445 4.615 4.170 -0.001 0.000 0.295 154 I C -0.905 175.277 176.117 0.108 0.000 1.114 154 I CA -0.664 60.590 61.300 -0.076 0.000 1.038 154 I CB 1.917 39.752 38.000 -0.276 0.000 1.238 154 I HN 0.596 nan 8.210 nan 0.000 0.420 155 N N 4.740 123.525 118.700 0.142 0.000 2.262 155 N HA 0.727 5.467 4.740 -0.001 0.000 0.295 155 N C -1.504 174.134 175.510 0.212 0.000 1.161 155 N CA -0.395 52.776 53.050 0.202 0.000 0.767 155 N CB 2.890 41.495 38.487 0.196 0.000 1.499 155 N HN 0.376 nan 8.380 nan 0.000 0.476 156 I N -0.463 120.196 120.570 0.148 0.000 3.002 156 I HA 0.513 4.683 4.170 -0.001 0.000 0.310 156 I C 0.753 176.899 176.117 0.049 0.000 1.087 156 I CA -0.693 60.668 61.300 0.103 0.000 1.017 156 I CB 1.799 39.807 38.000 0.014 0.000 1.226 156 I HN 0.701 nan 8.210 nan 0.000 0.443 157 K N 0.916 121.328 120.400 0.019 0.000 3.248 157 K HA 0.435 4.755 4.320 -0.001 0.000 0.255 157 K C -0.236 176.332 176.600 -0.053 0.000 1.395 157 K CA 0.299 56.579 56.287 -0.011 0.000 1.139 157 K CB -0.197 32.307 32.500 0.006 0.000 2.091 157 K HN 0.639 nan 8.250 nan 0.000 0.408 158 D N -1.075 119.315 120.400 -0.016 0.000 2.530 158 D HA 0.201 4.840 4.640 -0.001 0.000 0.282 158 D C -0.517 175.777 176.300 -0.010 0.000 1.204 158 D CA -0.070 53.938 54.000 0.014 0.000 1.093 158 D CB 0.220 41.108 40.800 0.148 0.000 1.154 158 D HN 0.180 nan 8.370 nan 0.000 0.593 159 Y N 0.073 120.360 120.300 -0.021 0.000 2.851 159 Y HA 0.456 5.005 4.550 -0.000 0.000 0.369 159 Y C 0.473 176.364 175.900 -0.015 0.000 1.226 159 Y CA -0.428 57.660 58.100 -0.020 0.000 1.949 159 Y CB -0.410 38.037 38.460 -0.021 0.000 2.059 159 Y HN 0.216 nan 8.280 nan 0.000 0.420 160 A N 0.131 123.009 122.820 0.098 0.000 2.610 160 A HA 0.407 4.727 4.320 -0.001 0.000 0.290 160 A C 1.001 178.615 177.584 0.050 0.000 1.001 160 A CA -0.159 51.919 52.037 0.068 0.000 1.004 160 A CB -0.446 18.583 19.000 0.048 0.000 1.220 160 A HN 0.666 nan 8.150 nan 0.000 0.507 161 I N -0.766 119.837 120.570 0.055 0.000 3.228 161 I HA -0.037 4.132 4.170 -0.001 0.000 0.279 161 I C 1.903 178.047 176.117 0.044 0.000 1.221 161 I CA 0.251 61.590 61.300 0.066 0.000 1.458 161 I CB 0.073 38.125 38.000 0.086 0.000 1.105 161 I HN 0.322 nan 8.210 nan 0.000 0.445 162 N N 0.493 119.211 118.700 0.028 0.000 2.216 162 N HA -0.086 4.654 4.740 -0.001 0.000 0.183 162 N C 1.966 177.475 175.510 -0.003 0.000 1.017 162 N CA 1.100 54.154 53.050 0.007 0.000 0.861 162 N CB -0.001 38.491 38.487 0.008 0.000 0.986 162 N HN 0.158 nan 8.380 nan 0.000 0.428 163 S N 0.666 116.370 115.700 0.007 0.000 2.354 163 S HA -0.166 4.304 4.470 -0.001 0.000 0.219 163 S C 0.976 175.576 174.600 -0.001 0.000 1.035 163 S CA 1.061 59.262 58.200 0.001 0.000 1.037 163 S CB -0.147 63.057 63.200 0.006 0.000 0.956 163 S HN 0.394 nan 8.310 nan 0.000 0.428 164 E N 0.793 121.000 120.200 0.010 0.000 2.167 164 E HA 0.215 4.565 4.350 -0.001 0.000 0.247 164 E C 0.184 176.800 176.600 0.026 0.000 0.961 164 E CA -0.192 56.218 56.400 0.018 0.000 0.797 164 E CB 0.295 30.013 29.700 0.031 0.000 1.182 164 E HN 0.272 nan 8.360 nan 0.000 0.437 165 Q N 0.779 120.570 119.800 -0.015 0.000 2.439 165 Q HA -0.116 4.223 4.340 -0.001 0.000 0.211 165 Q C 1.704 177.713 176.000 0.016 0.000 0.978 165 Q CA 0.855 56.639 55.803 -0.032 0.000 0.897 165 Q CB 0.107 28.752 28.738 -0.155 0.000 0.956 165 Q HN 0.413 nan 8.270 nan 0.000 0.483 166 S N 0.599 116.336 115.700 0.061 0.000 2.571 166 S HA -0.180 4.290 4.470 -0.001 0.000 0.245 166 S C 1.517 176.275 174.600 0.264 0.000 0.976 166 S CA 1.281 59.576 58.200 0.159 0.000 0.954 166 S CB 0.031 63.326 63.200 0.158 0.000 0.756 166 S HN 0.494 nan 8.310 nan 0.000 0.535 167 K N 0.412 120.957 120.400 0.242 0.000 2.161 167 K HA 0.182 4.502 4.320 -0.001 0.000 0.205 167 K C 2.016 178.893 176.600 0.462 0.000 1.035 167 K CA 0.632 57.141 56.287 0.370 0.000 0.970 167 K CB -0.790 31.841 32.500 0.218 0.000 0.866 167 K HN 0.353 nan 8.250 nan 0.000 0.461 168 E N 1.580 121.963 120.200 0.306 0.000 2.331 168 E HA -0.150 4.200 4.350 -0.001 0.000 0.199 168 E C 1.851 178.607 176.600 0.261 0.000 1.008 168 E CA 0.559 57.133 56.400 0.290 0.000 0.843 168 E CB 0.061 29.873 29.700 0.188 0.000 0.761 168 E HN 0.232 nan 8.360 nan 0.000 0.507 169 V N 0.104 120.123 119.914 0.175 0.000 2.490 169 V HA -0.246 3.874 4.120 -0.001 0.000 0.250 169 V C 1.338 177.411 176.094 -0.035 0.000 1.061 169 V CA 1.726 64.058 62.300 0.053 0.000 1.064 169 V CB -0.474 31.336 31.823 -0.022 0.000 0.670 169 V HN 0.427 nan 8.190 nan 0.000 0.461 170 Y N -1.624 118.817 120.300 0.236 0.000 2.439 170 Y HA -0.131 4.419 4.550 -0.001 0.000 0.292 170 Y C 2.165 178.168 175.900 0.171 0.000 1.130 170 Y CA 1.787 60.009 58.100 0.202 0.000 1.254 170 Y CB -0.330 38.268 38.460 0.230 0.000 1.000 170 Y HN 0.461 nan 8.280 nan 0.000 0.554 171 Y N 0.784 121.147 120.300 0.105 0.000 2.509 171 Y HA -0.094 4.455 4.550 -0.001 0.000 0.293 171 Y C 1.614 177.543 175.900 0.047 0.000 1.133 171 Y CA 1.013 59.124 58.100 0.019 0.000 1.283 171 Y CB -0.060 38.418 38.460 0.031 0.000 1.001 171 Y HN 0.049 nan 8.280 nan 0.000 0.555 172 E N -0.095 120.136 120.200 0.052 0.000 2.099 172 E HA -0.008 4.342 4.350 -0.001 0.000 0.191 172 E C 2.241 178.897 176.600 0.093 0.000 0.962 172 E CA 1.039 57.501 56.400 0.104 0.000 0.826 172 E CB -0.308 29.556 29.700 0.274 0.000 0.788 172 E HN 0.544 nan 8.360 nan 0.000 0.461 173 I N -0.285 120.334 120.570 0.081 0.000 2.235 173 I HA -0.076 4.094 4.170 -0.001 0.000 0.241 173 I C 2.074 178.211 176.117 0.033 0.000 1.085 173 I CA 1.546 62.890 61.300 0.074 0.000 1.378 173 I CB -0.490 37.547 38.000 0.062 0.000 1.076 173 I HN 0.204 nan 8.210 nan 0.000 0.415 174 G N 1.245 110.097 108.800 0.086 0.000 2.550 174 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.222 174 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.222 174 G C 1.699 176.555 174.900 -0.074 0.000 1.113 174 G CA 1.453 46.594 45.100 0.067 0.000 0.748 174 G HN 0.490 nan 8.290 nan 0.000 0.585 175 K N -0.069 120.226 120.400 -0.174 0.000 1.992 175 K HA 0.123 4.443 4.320 -0.001 0.000 0.210 175 K C 2.688 179.102 176.600 -0.309 0.000 1.036 175 K CA 1.130 57.218 56.287 -0.332 0.000 0.946 175 K CB -0.971 31.206 32.500 -0.537 0.000 0.742 175 K HN 0.123 nan 8.250 nan 0.000 0.442 176 G N 3.019 111.560 108.800 -0.431 0.000 2.984 176 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.239 176 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.239 176 G C 1.388 176.204 174.900 -0.140 0.000 1.090 176 G CA 2.075 46.932 45.100 -0.405 0.000 0.731 176 G HN 0.650 nan 8.290 nan 0.000 0.659 177 I N 1.104 121.632 120.570 -0.069 0.000 3.233 177 I HA -0.016 4.153 4.170 -0.001 0.000 0.287 177 I C 2.408 178.477 176.117 -0.080 0.000 1.329 177 I CA 1.265 62.538 61.300 -0.045 0.000 1.385 177 I CB -0.599 37.380 38.000 -0.035 0.000 1.053 177 I HN 0.299 nan 8.210 nan 0.000 0.525 178 S N 2.897 118.540 115.700 -0.095 0.000 2.327 178 S HA 0.003 4.472 4.470 -0.001 0.000 0.213 178 S C 1.820 176.346 174.600 -0.123 0.000 1.032 178 S CA 0.708 58.888 58.200 -0.035 0.000 0.960 178 S CB -0.823 62.449 63.200 0.120 0.000 0.900 178 S HN 0.591 nan 8.310 nan 0.000 0.469 179 L N 2.157 123.287 121.223 -0.154 0.000 2.477 179 L HA 0.168 4.508 4.340 -0.001 0.000 0.220 179 L C 2.027 178.747 176.870 -0.250 0.000 1.106 179 L CA 0.431 55.161 54.840 -0.183 0.000 0.851 179 L CB -0.954 40.993 42.059 -0.187 0.000 0.994 179 L HN 0.282 nan 8.230 nan 0.000 0.462 180 D N 2.110 122.382 120.400 -0.213 0.000 2.174 180 D HA -0.317 4.323 4.640 -0.001 0.000 0.215 180 D C 1.979 178.121 176.300 -0.263 0.000 1.021 180 D CA 1.357 55.146 54.000 -0.352 0.000 0.910 180 D CB -0.675 40.093 40.800 -0.053 0.000 1.142 180 D HN 0.306 nan 8.370 nan 0.000 0.473 181 I N -0.428 120.050 120.570 -0.152 0.000 2.992 181 I HA -0.189 3.981 4.170 -0.001 0.000 0.277 181 I C 1.130 177.171 176.117 -0.126 0.000 1.277 181 I CA 0.907 62.135 61.300 -0.120 0.000 1.429 181 I CB 0.050 37.992 38.000 -0.095 0.000 1.104 181 I HN 0.164 nan 8.210 nan 0.000 0.498 182 I N -1.677 118.799 120.570 -0.156 0.000 4.665 182 I HA 0.009 4.178 4.170 -0.001 0.000 0.360 182 I C 1.385 177.408 176.117 -0.156 0.000 1.259 182 I CA 0.317 61.533 61.300 -0.141 0.000 1.301 182 I CB -0.050 37.863 38.000 -0.145 0.000 1.746 182 I HN 0.074 nan 8.210 nan 0.000 0.598 183 S N 1.512 117.085 115.700 -0.212 0.000 2.294 183 S HA -0.010 4.460 4.470 -0.001 0.000 0.182 183 S C 1.594 176.098 174.600 -0.160 0.000 1.053 183 S CA 1.875 59.941 58.200 -0.223 0.000 1.161 183 S CB 0.463 63.403 63.200 -0.433 0.000 0.890 183 S HN 0.336 nan 8.310 nan 0.000 0.448 184 K N 0.004 120.273 120.400 -0.219 0.000 2.556 184 K HA 0.277 4.596 4.320 -0.001 0.000 0.201 184 K C 1.383 177.935 176.600 -0.081 0.000 1.423 184 K CA 0.822 57.064 56.287 -0.076 0.000 1.010 184 K CB -0.792 31.741 32.500 0.055 0.000 1.409 184 K HN 0.241 nan 8.250 nan 0.000 0.538 185 D N 1.045 121.338 120.400 -0.178 0.000 2.220 185 D HA -0.215 4.425 4.640 -0.001 0.000 0.198 185 D C 1.183 177.432 176.300 -0.084 0.000 1.001 185 D CA 1.496 55.434 54.000 -0.103 0.000 0.875 185 D CB 0.342 41.072 40.800 -0.116 0.000 0.921 185 D HN 0.372 nan 8.370 nan 0.000 0.454 186 K N -1.745 118.597 120.400 -0.098 0.000 2.600 186 K HA 0.086 4.406 4.320 -0.001 0.000 0.210 186 K C 1.469 178.028 176.600 -0.068 0.000 1.650 186 K CA 0.348 56.590 56.287 -0.074 0.000 1.024 186 K CB -0.197 32.263 32.500 -0.068 0.000 1.370 186 K HN -0.109 nan 8.250 nan 0.000 0.619 187 S N 0.973 116.623 115.700 -0.082 0.000 2.387 187 S HA -0.065 4.404 4.470 -0.001 0.000 0.230 187 S C 1.225 175.796 174.600 -0.048 0.000 1.035 187 S CA 1.247 59.404 58.200 -0.073 0.000 1.014 187 S CB -0.150 62.998 63.200 -0.087 0.000 0.836 187 S HN 0.347 nan 8.310 nan 0.000 0.466 188 L N -0.671 120.533 121.223 -0.033 0.000 2.783 188 L HA 0.626 4.965 4.340 -0.001 0.000 0.205 188 L C 0.045 176.904 176.870 -0.018 0.000 1.985 188 L CA -1.044 53.785 54.840 -0.018 0.000 2.546 188 L CB -0.686 41.371 42.059 -0.003 0.000 2.829 188 L HN 0.033 nan 8.230 nan 0.000 0.614 189 D N -0.708 119.691 120.400 -0.003 0.000 2.564 189 D HA 0.314 4.954 4.640 -0.001 0.000 0.273 189 D C -2.429 173.860 176.300 -0.018 0.000 1.192 189 D CA -1.268 52.725 54.000 -0.012 0.000 1.080 189 D CB 0.155 40.952 40.800 -0.005 0.000 1.160 189 D HN 0.218 nan 8.370 nan 0.000 0.607 190 P HA 0.037 nan 4.420 nan 0.000 0.235 190 P C -0.926 176.346 177.300 -0.047 0.000 1.670 190 P CA 0.210 63.261 63.100 -0.081 0.000 1.017 190 P CB -0.222 31.390 31.700 -0.146 0.000 1.945 191 E N 0.750 120.967 120.200 0.027 0.000 2.608 191 E HA -0.104 4.245 4.350 -0.001 0.000 0.259 191 E C 1.075 177.768 176.600 0.154 0.000 0.951 191 E CA 0.356 56.835 56.400 0.132 0.000 0.945 191 E CB 0.074 29.833 29.700 0.097 0.000 0.916 191 E HN 0.286 nan 8.360 nan 0.000 0.477 192 F N 1.635 121.548 119.950 -0.063 0.000 2.094 192 F HA -0.343 4.183 4.527 -0.001 0.000 0.296 192 F C 2.185 177.935 175.800 -0.084 0.000 1.070 192 F CA 1.165 59.123 58.000 -0.071 0.000 1.255 192 F CB -0.817 38.154 39.000 -0.050 0.000 1.000 192 F HN 0.470 nan 8.300 nan 0.000 0.490 193 L N -0.544 120.757 121.223 0.129 0.000 2.021 193 L HA -0.325 4.014 4.340 -0.001 0.000 0.215 193 L C 2.483 179.276 176.870 -0.128 0.000 1.074 193 L CA 2.185 57.040 54.840 0.026 0.000 0.760 193 L CB -0.673 41.430 42.059 0.074 0.000 0.889 193 L HN 0.312 nan 8.230 nan 0.000 0.433 194 N N -0.125 118.492 118.700 -0.137 0.000 2.405 194 N HA -0.097 4.643 4.740 -0.001 0.000 0.175 194 N C 1.790 177.161 175.510 -0.231 0.000 1.051 194 N CA 0.356 53.251 53.050 -0.259 0.000 0.899 194 N CB 0.322 38.731 38.487 -0.130 0.000 1.000 194 N HN 0.163 nan 8.380 nan 0.000 0.451 195 L N 1.302 122.400 121.223 -0.207 0.000 2.109 195 L HA 0.121 4.461 4.340 -0.001 0.000 0.207 195 L C 1.854 178.568 176.870 -0.261 0.000 1.086 195 L CA 1.320 55.978 54.840 -0.302 0.000 0.760 195 L CB -0.389 41.423 42.059 -0.410 0.000 0.910 195 L HN 0.113 nan 8.230 nan 0.000 0.437 196 I N -1.396 119.073 120.570 -0.168 0.000 2.852 196 I HA -0.076 4.093 4.170 -0.001 0.000 0.264 196 I C 2.188 178.252 176.117 -0.088 0.000 1.179 196 I CA 0.169 61.409 61.300 -0.100 0.000 1.480 196 I CB -0.350 37.646 38.000 -0.007 0.000 1.111 196 I HN 0.116 nan 8.210 nan 0.000 0.441 197 K N 0.807 121.125 120.400 -0.137 0.000 2.148 197 K HA -0.086 4.234 4.320 -0.001 0.000 0.204 197 K C 2.246 178.797 176.600 -0.083 0.000 1.050 197 K CA 1.127 57.327 56.287 -0.146 0.000 0.942 197 K CB -0.193 32.096 32.500 -0.352 0.000 0.724 197 K HN 0.119 nan 8.250 nan 0.000 0.446 198 S N 0.678 116.308 115.700 -0.116 0.000 2.423 198 S HA -0.002 4.468 4.470 -0.001 0.000 0.231 198 S C 1.883 176.479 174.600 -0.007 0.000 1.014 198 S CA 0.438 58.606 58.200 -0.053 0.000 0.965 198 S CB -0.058 62.972 63.200 -0.284 0.000 0.785 198 S HN 0.290 nan 8.310 nan 0.000 0.495 199 L N 1.549 122.741 121.223 -0.052 0.000 2.450 199 L HA -0.002 4.338 4.340 -0.001 0.000 0.224 199 L C 2.205 179.115 176.870 0.067 0.000 1.149 199 L CA 0.852 55.687 54.840 -0.010 0.000 0.816 199 L CB -0.437 41.604 42.059 -0.030 0.000 0.932 199 L HN 0.324 nan 8.230 nan 0.000 0.449 200 S N -0.392 115.362 115.700 0.090 0.000 2.894 200 S HA -0.147 4.323 4.470 -0.001 0.000 0.231 200 S C 1.264 176.021 174.600 0.262 0.000 0.971 200 S CA 0.418 58.704 58.200 0.143 0.000 1.005 200 S CB -0.409 62.865 63.200 0.123 0.000 0.799 200 S HN 0.405 nan 8.310 nan 0.000 0.527 201 D N 2.322 122.873 120.400 0.252 0.000 2.106 201 D HA -0.137 4.503 4.640 -0.001 0.000 0.194 201 D C 0.901 177.545 176.300 0.572 0.000 0.988 201 D CA 2.016 56.209 54.000 0.321 0.000 0.845 201 D CB 0.058 40.920 40.800 0.103 0.000 0.990 201 D HN 0.750 nan 8.370 nan 0.000 0.448 202 D N -2.544 118.060 120.400 0.339 0.000 2.704 202 D HA 0.105 4.745 4.640 -0.001 0.000 0.291 202 D C 0.459 176.846 176.300 0.144 0.000 1.610 202 D CA 0.338 54.496 54.000 0.263 0.000 0.807 202 D CB -0.194 40.782 40.800 0.294 0.000 1.233 202 D HN 0.126 nan 8.370 nan 0.000 0.445 203 S N -1.326 114.445 115.700 0.118 0.000 2.514 203 S HA 0.098 4.568 4.470 -0.001 0.000 0.223 203 S C 1.076 175.712 174.600 0.059 0.000 1.046 203 S CA 0.131 58.376 58.200 0.075 0.000 0.914 203 S CB 0.315 63.551 63.200 0.060 0.000 0.807 203 S HN 0.062 nan 8.310 nan 0.000 0.497 204 D N 1.935 122.374 120.400 0.064 0.000 2.458 204 D HA 0.165 4.805 4.640 -0.001 0.000 0.252 204 D C 0.795 177.122 176.300 0.044 0.000 1.221 204 D CA 0.585 54.614 54.000 0.050 0.000 0.985 204 D CB -0.471 40.359 40.800 0.049 0.000 1.050 204 D HN 0.375 nan 8.370 nan 0.000 0.411 205 S N -0.173 115.557 115.700 0.050 0.000 2.592 205 S HA 0.074 4.544 4.470 -0.001 0.000 0.271 205 S C 0.683 175.299 174.600 0.027 0.000 1.326 205 S CA -0.391 57.830 58.200 0.036 0.000 1.024 205 S CB 0.952 64.176 63.200 0.039 0.000 0.921 205 S HN 0.009 nan 8.310 nan 0.000 0.527 206 S N 2.911 118.615 115.700 0.007 0.000 2.942 206 S HA 0.092 4.561 4.470 -0.001 0.000 0.244 206 S C -0.448 174.132 174.600 -0.033 0.000 1.011 206 S CA 0.005 58.200 58.200 -0.009 0.000 1.102 206 S CB -0.461 62.729 63.200 -0.017 0.000 0.812 206 S HN 0.578 nan 8.310 nan 0.000 0.486 207 D N 1.857 122.243 120.400 -0.023 0.000 2.485 207 D HA 0.201 4.841 4.640 -0.001 0.000 0.256 207 D C -0.585 175.679 176.300 -0.061 0.000 1.141 207 D CA -0.290 53.675 54.000 -0.058 0.000 0.942 207 D CB 0.991 41.769 40.800 -0.037 0.000 1.003 207 D HN 0.136 nan 8.370 nan 0.000 0.507 208 L N 2.195 123.335 121.223 -0.138 0.000 2.955 208 L HA 0.134 4.473 4.340 -0.001 0.000 0.238 208 L C 0.453 176.989 176.870 -0.556 0.000 1.359 208 L CA 0.128 54.796 54.840 -0.288 0.000 1.214 208 L CB -0.169 41.759 42.059 -0.217 0.000 1.600 208 L HN 0.141 nan 8.230 nan 0.000 0.442 209 L N 1.023 122.035 121.223 -0.352 0.000 2.828 209 L HA 0.253 4.593 4.340 -0.001 0.000 0.233 209 L C 0.189 177.019 176.870 -0.065 0.000 1.250 209 L CA 0.098 54.773 54.840 -0.275 0.000 1.125 209 L CB -0.253 41.621 42.059 -0.309 0.000 1.432 209 L HN 0.302 nan 8.230 nan 0.000 0.444 210 F N -2.478 117.512 119.950 0.067 0.000 2.772 210 F HA 0.390 4.917 4.527 -0.001 0.000 0.302 210 F C 1.552 177.365 175.800 0.021 0.000 1.136 210 F CA -0.510 57.482 58.000 -0.013 0.000 1.322 210 F CB -0.817 38.188 39.000 0.009 0.000 0.967 210 F HN 0.148 nan 8.300 nan 0.000 0.513 211 S N 0.561 116.376 115.700 0.192 0.000 2.555 211 S HA -0.127 4.342 4.470 -0.001 0.000 0.230 211 S C 1.732 176.412 174.600 0.134 0.000 0.978 211 S CA 1.266 59.588 58.200 0.203 0.000 0.934 211 S CB -0.265 63.001 63.200 0.110 0.000 0.766 211 S HN 0.745 nan 8.310 nan 0.000 0.533 212 Q N 0.680 120.512 119.800 0.054 0.000 2.302 212 Q HA 0.047 4.387 4.340 -0.001 0.000 0.202 212 Q C 1.817 177.782 176.000 -0.058 0.000 0.936 212 Q CA 0.785 56.545 55.803 -0.072 0.000 0.886 212 Q CB -0.270 28.305 28.738 -0.272 0.000 0.986 212 Q HN 0.701 nan 8.270 nan 0.000 0.487 213 K N -0.452 119.901 120.400 -0.077 0.000 2.425 213 K HA 0.206 4.526 4.320 -0.001 0.000 0.201 213 K C -0.034 176.683 176.600 0.194 0.000 1.128 213 K CA -0.155 56.080 56.287 -0.087 0.000 1.000 213 K CB 0.494 32.773 32.500 -0.368 0.000 0.961 213 K HN 0.048 nan 8.250 nan 0.000 0.555 214 F N 2.019 122.052 119.950 0.137 0.000 2.366 214 F HA 0.361 4.888 4.527 -0.001 0.000 0.357 214 F C 0.726 176.608 175.800 0.137 0.000 1.107 214 F CA -1.189 56.855 58.000 0.073 0.000 1.208 214 F CB 1.374 40.312 39.000 -0.102 0.000 1.464 214 F HN -0.054 nan 8.300 nan 0.000 0.501 215 K N 2.068 122.625 120.400 0.262 0.000 3.533 215 K HA 0.045 4.364 4.320 -0.001 0.000 0.215 215 K C 1.885 178.555 176.600 0.117 0.000 1.143 215 K CA 0.812 57.208 56.287 0.182 0.000 1.479 215 K CB -0.318 32.259 32.500 0.129 0.000 2.075 215 K HN 0.415 nan 8.250 nan 0.000 0.476 216 E N 0.504 120.748 120.200 0.073 0.000 2.204 216 E HA -0.179 4.171 4.350 -0.001 0.000 0.195 216 E C 1.066 177.681 176.600 0.026 0.000 0.990 216 E CA 1.089 57.514 56.400 0.042 0.000 0.821 216 E CB 0.010 29.724 29.700 0.023 0.000 0.750 216 E HN 0.101 nan 8.360 nan 0.000 0.477 217 K N 0.044 120.453 120.400 0.015 0.000 2.352 217 K HA 0.139 4.459 4.320 -0.001 0.000 0.194 217 K C 0.519 177.089 176.600 -0.050 0.000 1.038 217 K CA 0.069 56.341 56.287 -0.024 0.000 1.023 217 K CB 0.732 33.193 32.500 -0.065 0.000 0.840 217 K HN 0.152 nan 8.250 nan 0.000 0.519 218 L N 1.908 123.106 121.223 -0.041 0.000 2.613 218 L HA 0.144 4.484 4.340 -0.001 0.000 0.275 218 L C 0.068 176.950 176.870 0.020 0.000 1.453 218 L CA 0.164 54.945 54.840 -0.097 0.000 0.725 218 L CB 0.357 42.133 42.059 -0.471 0.000 1.013 218 L HN 0.068 nan 8.230 nan 0.000 0.520 219 E N -0.164 120.083 120.200 0.077 0.000 2.451 219 E HA 0.063 4.412 4.350 -0.001 0.000 0.194 219 E C 0.334 176.987 176.600 0.089 0.000 1.027 219 E CA -0.365 56.125 56.400 0.149 0.000 0.914 219 E CB 0.326 30.101 29.700 0.125 0.000 1.054 219 E HN 0.358 nan 8.360 nan 0.000 0.461 220 L N 2.370 123.606 121.223 0.021 0.000 2.536 220 L HA 0.206 4.546 4.340 -0.001 0.000 0.242 220 L C 0.481 177.343 176.870 -0.013 0.000 1.280 220 L CA -0.129 54.685 54.840 -0.044 0.000 1.221 220 L CB -0.399 41.563 42.059 -0.161 0.000 1.449 220 L HN -0.013 nan 8.230 nan 0.000 0.405 221 N N 0.627 119.374 118.700 0.079 0.000 2.396 221 N HA -0.056 4.683 4.740 -0.001 0.000 0.180 221 N C -0.074 175.475 175.510 0.066 0.000 1.028 221 N CA 0.608 53.744 53.050 0.144 0.000 0.893 221 N CB -0.054 38.569 38.487 0.228 0.000 0.967 221 N HN 0.563 nan 8.380 nan 0.000 0.440 222 N N 1.941 120.651 118.700 0.017 0.000 3.303 222 N HA 0.052 4.792 4.740 -0.001 0.000 0.304 222 N C -0.391 175.082 175.510 -0.062 0.000 1.302 222 N CA 0.349 53.393 53.050 -0.011 0.000 1.213 222 N CB 0.395 38.874 38.487 -0.013 0.000 1.481 222 N HN 0.041 nan 8.380 nan 0.000 0.546 223 K N 0.537 120.900 120.400 -0.061 0.000 2.545 223 K HA 0.066 4.385 4.320 -0.001 0.000 0.291 223 K C -1.237 175.340 176.600 -0.038 0.000 1.093 223 K CA -0.222 55.999 56.287 -0.110 0.000 1.012 223 K CB 0.759 33.085 32.500 -0.290 0.000 1.354 223 K HN -0.020 nan 8.250 nan 0.000 0.460 224 S N 4.798 120.493 115.700 -0.008 0.000 2.519 224 S HA 0.162 4.632 4.470 -0.001 0.000 0.310 224 S C 1.029 175.673 174.600 0.072 0.000 1.201 224 S CA -0.148 58.068 58.200 0.027 0.000 1.179 224 S CB -0.479 62.730 63.200 0.015 0.000 1.104 224 S HN 0.372 nan 8.310 nan 0.000 0.527 225 I N 3.205 123.846 120.570 0.118 0.000 2.426 225 I HA 0.045 4.214 4.170 -0.001 0.000 0.282 225 I C 1.020 177.133 176.117 -0.008 0.000 1.064 225 I CA -0.099 61.318 61.300 0.194 0.000 2.047 225 I CB -0.373 37.748 38.000 0.202 0.000 1.497 225 I HN 0.499 nan 8.210 nan 0.000 0.899 226 D N 2.323 122.708 120.400 -0.025 0.000 2.685 226 D HA 0.223 4.863 4.640 -0.001 0.000 0.257 226 D C 1.589 177.780 176.300 -0.182 0.000 1.472 226 D CA 0.822 54.741 54.000 -0.136 0.000 1.125 226 D CB 0.472 41.205 40.800 -0.112 0.000 0.969 226 D HN 0.261 nan 8.370 nan 0.000 0.281 227 I N 0.344 120.837 120.570 -0.129 0.000 4.288 227 I HA 0.075 4.245 4.170 -0.001 0.000 0.331 227 I C 0.816 176.908 176.117 -0.042 0.000 1.322 227 I CA 0.033 61.258 61.300 -0.124 0.000 1.149 227 I CB 0.191 38.120 38.000 -0.119 0.000 1.112 227 I HN -0.065 nan 8.210 nan 0.000 0.403 228 N N 1.105 119.808 118.700 0.005 0.000 2.396 228 N HA -0.144 4.596 4.740 -0.001 0.000 0.180 228 N C 1.210 176.815 175.510 0.159 0.000 1.028 228 N CA 1.313 54.399 53.050 0.060 0.000 0.893 228 N CB 0.065 38.584 38.487 0.054 0.000 0.967 228 N HN 0.447 nan 8.380 nan 0.000 0.440 229 F N -1.128 118.795 119.950 -0.045 0.000 2.897 229 F HA 0.403 4.930 4.527 -0.001 0.000 0.364 229 F C 1.237 177.053 175.800 0.027 0.000 0.940 229 F CA -0.506 57.486 58.000 -0.014 0.000 1.106 229 F CB -0.273 38.719 39.000 -0.014 0.000 1.034 229 F HN -0.123 nan 8.300 nan 0.000 0.583 230 I N 1.596 121.923 120.570 -0.404 0.000 2.335 230 I HA -0.313 3.857 4.170 -0.001 0.000 0.251 230 I C 1.873 177.873 176.117 -0.194 0.000 1.129 230 I CA 1.644 62.663 61.300 -0.468 0.000 1.402 230 I CB -0.181 37.469 38.000 -0.584 0.000 1.069 230 I HN 0.207 nan 8.210 nan 0.000 0.424 231 K N 0.431 120.751 120.400 -0.134 0.000 1.969 231 K HA -0.292 4.028 4.320 -0.001 0.000 0.216 231 K C 1.917 178.499 176.600 -0.029 0.000 1.048 231 K CA 1.901 58.151 56.287 -0.063 0.000 0.948 231 K CB -0.516 31.961 32.500 -0.039 0.000 0.726 231 K HN 0.139 nan 8.250 nan 0.000 0.442 232 E N 1.344 121.540 120.200 -0.006 0.000 2.245 232 E HA -0.236 4.114 4.350 -0.001 0.000 0.217 232 E C 0.131 176.729 176.600 -0.003 0.000 1.069 232 E CA 1.649 58.065 56.400 0.026 0.000 0.877 232 E CB -0.069 29.698 29.700 0.111 0.000 0.757 232 E HN 0.244 nan 8.360 nan 0.000 0.464 233 N N 0.012 118.682 118.700 -0.050 0.000 2.660 233 N HA 0.109 4.849 4.740 -0.001 0.000 0.316 233 N C 0.925 176.405 175.510 -0.051 0.000 1.774 233 N CA 0.207 53.198 53.050 -0.099 0.000 0.946 233 N CB 0.462 38.809 38.487 -0.234 0.000 1.322 233 N HN 0.293 nan 8.380 nan 0.000 0.492 234 L N -1.086 120.156 121.223 0.032 0.000 2.081 234 L HA -0.186 4.154 4.340 -0.001 0.000 0.212 234 L C 2.236 179.113 176.870 0.011 0.000 1.080 234 L CA 1.877 56.766 54.840 0.081 0.000 0.754 234 L CB -1.656 40.409 42.059 0.009 0.000 0.893 234 L HN 0.088 nan 8.230 nan 0.000 0.433 235 T N -2.455 112.053 114.554 -0.077 0.000 2.635 235 T HA -0.289 4.060 4.350 -0.001 0.000 0.267 235 T C 1.818 176.306 174.700 -0.353 0.000 1.040 235 T CA 1.656 63.648 62.100 -0.181 0.000 1.156 235 T CB -0.705 68.100 68.868 -0.106 0.000 0.863 235 T HN 0.555 nan 8.240 nan 0.000 0.430 236 E N 0.274 120.319 120.200 -0.259 0.000 2.153 236 E HA -0.085 4.265 4.350 -0.001 0.000 0.194 236 E C 1.268 177.732 176.600 -0.227 0.000 0.988 236 E CA 0.839 57.142 56.400 -0.161 0.000 0.811 236 E CB -0.182 29.283 29.700 -0.391 0.000 0.746 236 E HN 0.649 nan 8.360 nan 0.000 0.466 237 F N 0.776 120.735 119.950 0.016 0.000 2.816 237 F HA 0.052 4.578 4.527 -0.001 0.000 0.302 237 F C 2.120 177.990 175.800 0.118 0.000 1.178 237 F CA 0.449 58.511 58.000 0.103 0.000 1.421 237 F CB 0.066 39.067 39.000 0.002 0.000 1.114 237 F HN 0.023 nan 8.300 nan 0.000 0.573 238 Q N -1.219 118.639 119.800 0.096 0.000 2.387 238 Q HA -0.024 4.315 4.340 -0.001 0.000 0.208 238 Q C 1.789 177.868 176.000 0.132 0.000 0.935 238 Q CA 0.352 56.203 55.803 0.080 0.000 0.891 238 Q CB -0.207 28.474 28.738 -0.096 0.000 1.007 238 Q HN 0.388 nan 8.270 nan 0.000 0.548 239 H N 0.654 119.813 119.070 0.150 0.000 2.496 239 H HA -0.137 4.419 4.556 -0.001 0.000 0.296 239 H C 1.659 177.082 175.328 0.159 0.000 1.107 239 H CA 1.466 57.597 56.048 0.137 0.000 1.263 239 H CB -0.036 29.789 29.762 0.105 0.000 1.369 239 H HN 0.334 nan 8.280 nan 0.000 0.541 240 A N 0.500 123.508 122.820 0.313 0.000 1.884 240 A HA -0.015 4.305 4.320 -0.001 0.000 0.212 240 A C 2.170 179.900 177.584 0.243 0.000 1.265 240 A CA 0.349 52.529 52.037 0.239 0.000 0.626 240 A CB -1.001 18.169 19.000 0.282 0.000 0.943 240 A HN 0.254 nan 8.150 nan 0.000 0.466 241 F N 2.069 122.146 119.950 0.212 0.000 2.225 241 F HA -0.237 4.289 4.527 -0.001 0.000 0.302 241 F C 2.300 178.245 175.800 0.242 0.000 1.068 241 F CA 1.782 59.924 58.000 0.237 0.000 1.327 241 F CB -0.055 39.080 39.000 0.226 0.000 1.043 241 F HN 0.208 nan 8.300 nan 0.000 0.506 242 S N 0.915 116.782 115.700 0.278 0.000 2.329 242 S HA -0.132 4.338 4.470 -0.001 0.000 0.215 242 S C 2.023 176.743 174.600 0.199 0.000 1.031 242 S CA 1.413 59.742 58.200 0.214 0.000 0.985 242 S CB -0.765 62.553 63.200 0.197 0.000 0.917 242 S HN 0.387 nan 8.310 nan 0.000 0.441 243 L N 1.486 122.811 121.223 0.170 0.000 2.129 243 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 243 L C 2.747 179.729 176.870 0.187 0.000 1.087 243 L CA 1.148 56.091 54.840 0.172 0.000 0.757 243 L CB -0.774 41.332 42.059 0.079 0.000 0.896 243 L HN 0.342 nan 8.230 nan 0.000 0.434 244 A N -0.188 122.677 122.820 0.074 0.000 1.898 244 A HA -0.241 4.079 4.320 -0.001 0.000 0.216 244 A C 2.159 179.808 177.584 0.107 0.000 1.181 244 A CA 1.373 53.430 52.037 0.033 0.000 0.620 244 A CB -0.718 18.255 19.000 -0.046 0.000 0.819 244 A HN 0.390 nan 8.150 nan 0.000 0.442 245 F N 2.112 122.019 119.950 -0.071 0.000 2.102 245 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 245 F C 2.762 178.742 175.800 0.299 0.000 1.105 245 F CA 2.118 60.166 58.000 0.080 0.000 1.239 245 F CB -0.372 38.594 39.000 -0.056 0.000 0.991 245 F HN 0.313 nan 8.300 nan 0.000 0.474 246 S N -0.823 115.131 115.700 0.423 0.000 2.400 246 S HA -0.265 4.205 4.470 -0.001 0.000 0.232 246 S C 1.885 176.606 174.600 0.201 0.000 1.025 246 S CA 1.398 59.779 58.200 0.301 0.000 0.993 246 S CB -1.296 62.027 63.200 0.205 0.000 0.808 246 S HN 0.502 nan 8.310 nan 0.000 0.478 247 Y N 0.267 120.616 120.300 0.083 0.000 2.176 247 Y HA 0.089 4.639 4.550 -0.001 0.000 0.291 247 Y C 2.455 178.376 175.900 0.034 0.000 1.122 247 Y CA 0.857 58.996 58.100 0.065 0.000 1.128 247 Y CB -1.035 37.390 38.460 -0.057 0.000 1.005 247 Y HN 0.284 nan 8.280 nan 0.000 0.509 248 Y N -0.908 119.381 120.300 -0.017 0.000 2.241 248 Y HA -0.308 4.242 4.550 -0.001 0.000 0.286 248 Y C 1.268 176.807 175.900 -0.602 0.000 1.166 248 Y CA 1.822 59.716 58.100 -0.343 0.000 1.203 248 Y CB -0.407 37.692 38.460 -0.603 0.000 0.977 248 Y HN 0.088 nan 8.280 nan 0.000 0.529 249 F N -0.940 118.959 119.950 -0.085 0.000 2.720 249 F HA 0.396 4.923 4.527 -0.000 0.000 0.301 249 F C 1.419 177.158 175.800 -0.102 0.000 1.103 249 F CA 0.002 57.919 58.000 -0.138 0.000 1.291 249 F CB -0.507 38.323 39.000 -0.284 0.000 1.086 249 F HN -0.085 nan 8.300 nan 0.000 0.592 250 A N 2.989 125.846 122.820 0.062 0.000 2.565 250 A HA 0.049 4.369 4.320 -0.001 0.000 0.237 250 A C -1.035 176.483 177.584 -0.109 0.000 1.053 250 A CA -0.790 51.227 52.037 -0.033 0.000 0.755 250 A CB -0.347 18.585 19.000 -0.112 0.000 0.980 250 A HN 0.118 nan 8.150 nan 0.000 0.506 251 P HA -0.194 nan 4.420 nan 0.000 0.221 251 P C 0.288 177.498 177.300 -0.149 0.000 1.145 251 P CA 1.790 64.836 63.100 -0.090 0.000 0.795 251 P CB 0.161 31.828 31.700 -0.055 0.000 0.775 252 D N 0.311 120.547 120.400 -0.274 0.000 2.799 252 D HA -0.076 4.564 4.640 -0.001 0.000 0.267 252 D C 0.531 176.687 176.300 -0.240 0.000 1.468 252 D CA 0.319 54.147 54.000 -0.287 0.000 1.077 252 D CB -1.584 38.989 40.800 -0.377 0.000 1.065 252 D HN 0.233 nan 8.370 nan 0.000 0.359 253 H N 1.010 119.983 119.070 -0.162 0.000 3.205 253 H HA 0.387 4.943 4.556 -0.001 0.000 0.262 253 H C 1.095 176.353 175.328 -0.116 0.000 1.333 253 H CA -0.441 55.517 56.048 -0.149 0.000 1.499 253 H CB 0.276 29.902 29.762 -0.226 0.000 1.609 253 H HN 0.138 nan 8.280 nan 0.000 0.498 254 R N 1.757 122.280 120.500 0.038 0.000 2.164 254 R HA 0.019 4.359 4.340 -0.001 0.000 0.198 254 R C 0.825 177.133 176.300 0.013 0.000 1.028 254 R CA 0.930 57.004 56.100 -0.043 0.000 1.083 254 R CB -1.274 28.898 30.300 -0.213 0.000 1.026 254 R HN 0.471 nan 8.270 nan 0.000 0.514 255 T N 1.795 116.346 114.554 -0.006 0.000 2.833 255 T HA -0.023 4.326 4.350 -0.001 0.000 0.269 255 T C 2.095 176.811 174.700 0.026 0.000 1.054 255 T CA 1.348 63.432 62.100 -0.027 0.000 1.135 255 T CB -0.470 68.376 68.868 -0.036 0.000 0.869 255 T HN -0.033 nan 8.240 nan 0.000 0.466 256 V N 1.610 121.582 119.914 0.097 0.000 2.324 256 V HA -0.156 3.963 4.120 -0.001 0.000 0.250 256 V C 2.425 178.562 176.094 0.072 0.000 1.060 256 V CA 1.557 63.916 62.300 0.099 0.000 1.042 256 V CB -0.808 31.124 31.823 0.182 0.000 0.650 256 V HN 0.356 nan 8.190 nan 0.000 0.450 257 L N 0.190 121.490 121.223 0.128 0.000 2.141 257 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 257 L C 2.369 179.324 176.870 0.143 0.000 1.094 257 L CA 2.185 57.096 54.840 0.118 0.000 0.763 257 L CB -0.591 41.602 42.059 0.224 0.000 0.908 257 L HN 0.456 nan 8.230 nan 0.000 0.437 258 E N -1.230 118.988 120.200 0.031 0.000 2.285 258 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 258 E C 1.906 178.407 176.600 -0.166 0.000 0.997 258 E CA 0.580 56.804 56.400 -0.292 0.000 0.845 258 E CB 0.095 29.358 29.700 -0.728 0.000 0.782 258 E HN 0.469 nan 8.360 nan 0.000 0.491 259 L N -0.373 120.838 121.223 -0.019 0.000 2.513 259 L HA 0.140 4.479 4.340 -0.001 0.000 0.222 259 L C 0.984 177.924 176.870 0.116 0.000 1.096 259 L CA 0.566 55.426 54.840 0.033 0.000 0.857 259 L CB 0.086 42.190 42.059 0.076 0.000 1.026 259 L HN 0.087 nan 8.230 nan 0.000 0.469 260 Y N -0.484 119.784 120.300 -0.052 0.000 2.435 260 Y HA 0.515 5.065 4.550 -0.001 0.000 0.251 260 Y C 1.290 177.167 175.900 -0.038 0.000 1.077 260 Y CA 0.174 58.242 58.100 -0.054 0.000 1.243 260 Y CB -0.537 37.878 38.460 -0.075 0.000 1.107 260 Y HN -0.055 nan 8.280 nan 0.000 0.496 261 A N 2.030 124.960 122.820 0.183 0.000 2.320 261 A HA 0.307 4.626 4.320 -0.001 0.000 0.287 261 A C -1.960 175.695 177.584 0.120 0.000 1.181 261 A CA -1.148 50.958 52.037 0.114 0.000 0.831 261 A CB -0.114 18.945 19.000 0.099 0.000 1.102 261 A HN 0.312 nan 8.150 nan 0.000 0.513 262 P HA -0.018 nan 4.420 nan 0.000 0.239 262 P C 0.354 177.762 177.300 0.179 0.000 1.188 262 P CA 0.616 63.777 63.100 0.102 0.000 0.794 262 P CB 0.604 32.333 31.700 0.048 0.000 0.937 263 D N -0.677 119.818 120.400 0.159 0.000 2.202 263 D HA 0.012 4.651 4.640 -0.001 0.000 0.214 263 D C 1.958 178.383 176.300 0.208 0.000 0.967 263 D CA 0.747 54.845 54.000 0.164 0.000 0.871 263 D CB -0.111 40.751 40.800 0.105 0.000 1.020 263 D HN -0.164 nan 8.370 nan 0.000 0.474 264 M N 0.444 120.160 119.600 0.193 0.000 2.255 264 M HA -0.175 4.304 4.480 -0.001 0.000 0.259 264 M C 2.076 178.504 176.300 0.212 0.000 1.071 264 M CA 0.824 56.260 55.300 0.228 0.000 1.074 264 M CB -1.089 31.608 32.600 0.161 0.000 1.384 264 M HN 0.097 nan 8.290 nan 0.000 0.415 265 F N 1.133 121.150 119.950 0.112 0.000 2.084 265 F HA -0.212 4.315 4.527 -0.000 0.000 0.296 265 F C 2.280 178.139 175.800 0.098 0.000 1.111 265 F CA 2.098 60.174 58.000 0.126 0.000 1.224 265 F CB -0.376 38.687 39.000 0.106 0.000 0.991 265 F HN 0.118 nan 8.300 nan 0.000 0.471 266 E N -0.531 119.744 120.200 0.125 0.000 2.153 266 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 266 E C 2.060 178.620 176.600 -0.067 0.000 0.988 266 E CA 1.480 57.874 56.400 -0.010 0.000 0.811 266 E CB -0.818 28.991 29.700 0.181 0.000 0.746 266 E HN 0.599 nan 8.360 nan 0.000 0.466 267 Y N 0.380 120.614 120.300 -0.109 0.000 2.089 267 Y HA -0.219 4.330 4.550 -0.001 0.000 0.282 267 Y C 1.978 177.738 175.900 -0.232 0.000 1.139 267 Y CA 1.908 59.949 58.100 -0.098 0.000 1.123 267 Y CB -0.541 37.918 38.460 -0.003 0.000 0.980 267 Y HN 0.051 nan 8.280 nan 0.000 0.493 268 M N 0.624 119.954 119.600 -0.451 0.000 2.108 268 M HA -0.271 4.208 4.480 -0.001 0.000 0.261 268 M C 2.123 177.781 176.300 -1.070 0.000 1.066 268 M CA 1.607 56.410 55.300 -0.828 0.000 1.107 268 M CB -1.529 30.571 32.600 -0.834 0.000 1.356 268 M HN 0.457 nan 8.290 nan 0.000 0.406 269 N N 0.680 118.812 118.700 -0.948 0.000 2.043 269 N HA -0.205 4.534 4.740 -0.001 0.000 0.193 269 N C 1.666 176.878 175.510 -0.496 0.000 1.037 269 N CA 1.609 54.201 53.050 -0.763 0.000 0.851 269 N CB -0.047 38.047 38.487 -0.655 0.000 1.027 269 N HN 0.203 nan 8.380 nan 0.000 0.422 270 K N 1.134 121.316 120.400 -0.363 0.000 2.063 270 K HA -0.031 4.289 4.320 -0.001 0.000 0.208 270 K C 2.257 178.648 176.600 -0.348 0.000 1.048 270 K CA 0.868 57.010 56.287 -0.242 0.000 0.928 270 K CB -0.405 32.024 32.500 -0.118 0.000 0.713 270 K HN 0.185 nan 8.250 nan 0.000 0.442 271 L N 0.418 121.307 121.223 -0.556 0.000 2.043 271 L HA -0.240 4.099 4.340 -0.001 0.000 0.212 271 L C 2.633 178.946 176.870 -0.930 0.000 1.075 271 L CA 1.960 56.305 54.840 -0.825 0.000 0.752 271 L CB -0.482 40.867 42.059 -1.184 0.000 0.891 271 L HN 0.450 nan 8.230 nan 0.000 0.432 272 E N 0.310 120.041 120.200 -0.782 0.000 2.107 272 E HA -0.213 4.136 4.350 -0.001 0.000 0.191 272 E C 2.134 178.612 176.600 -0.204 0.000 0.982 272 E CA 0.790 56.945 56.400 -0.408 0.000 0.809 272 E CB 0.160 29.699 29.700 -0.268 0.000 0.756 272 E HN 0.354 nan 8.360 nan 0.000 0.459 273 K N -1.094 119.177 120.400 -0.216 0.000 2.127 273 K HA -0.185 4.135 4.320 -0.001 0.000 0.208 273 K C 1.465 178.024 176.600 -0.069 0.000 1.047 273 K CA 1.379 57.599 56.287 -0.112 0.000 0.927 273 K CB -0.046 32.389 32.500 -0.108 0.000 0.716 273 K HN 0.344 nan 8.250 nan 0.000 0.450 274 G N -1.905 106.842 108.800 -0.089 0.000 4.491 274 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.216 274 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.216 274 G C 0.922 175.813 174.900 -0.014 0.000 0.705 274 G CA 0.097 45.183 45.100 -0.024 0.000 0.832 274 G HN 0.315 nan 8.290 nan 0.000 0.602 275 G N 0.707 109.449 108.800 -0.096 0.000 2.462 275 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.220 275 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.220 275 G C 1.426 176.396 174.900 0.117 0.000 1.121 275 G CA 1.119 46.183 45.100 -0.060 0.000 0.758 275 G HN 0.453 nan 8.290 nan 0.000 0.559 276 F N 0.052 120.002 119.950 -0.000 0.000 2.335 276 F HA 0.095 4.621 4.527 -0.000 0.000 0.296 276 F C 2.596 178.402 175.800 0.009 0.000 1.091 276 F CA 0.717 58.727 58.000 0.017 0.000 1.399 276 F CB 0.210 39.233 39.000 0.039 0.000 1.067 276 F HN 0.233 nan 8.300 nan 0.000 0.520 277 E N 1.103 121.420 120.200 0.196 0.000 2.338 277 E HA -0.145 4.205 4.350 -0.001 0.000 0.197 277 E C 1.631 178.276 176.600 0.075 0.000 1.007 277 E CA 0.499 56.962 56.400 0.105 0.000 0.849 277 E CB 0.187 29.930 29.700 0.073 0.000 0.774 277 E HN 0.373 nan 8.360 nan 0.000 0.506 278 K N 0.809 121.261 120.400 0.086 0.000 1.981 278 K HA -0.172 4.147 4.320 -0.001 0.000 0.227 278 K C 2.072 178.699 176.600 0.045 0.000 1.030 278 K CA 1.765 58.087 56.287 0.058 0.000 1.042 278 K CB -0.419 32.120 32.500 0.066 0.000 0.749 278 K HN 0.164 nan 8.250 nan 0.000 0.445 279 I N 0.994 121.595 120.570 0.050 0.000 2.367 279 I HA -0.252 3.917 4.170 -0.001 0.000 0.256 279 I C 2.163 178.280 176.117 0.000 0.000 1.132 279 I CA 1.444 62.754 61.300 0.016 0.000 1.397 279 I CB -1.794 36.212 38.000 0.009 0.000 1.074 279 I HN 0.185 nan 8.210 nan 0.000 0.435 280 S N -0.129 115.581 115.700 0.016 0.000 2.727 280 S HA -0.053 4.417 4.470 -0.001 0.000 0.226 280 S C 1.440 176.041 174.600 0.001 0.000 0.963 280 S CA 0.609 58.809 58.200 0.001 0.000 0.950 280 S CB -0.119 63.091 63.200 0.017 0.000 0.779 280 S HN 0.476 nan 8.310 nan 0.000 0.532 281 E N 0.005 120.207 120.200 0.002 0.000 3.155 281 E HA 0.063 4.412 4.350 -0.001 0.000 0.208 281 E C 1.854 178.449 176.600 -0.007 0.000 1.060 281 E CA 0.971 57.371 56.400 -0.000 0.000 1.522 281 E CB -0.452 29.252 29.700 0.008 0.000 1.433 281 E HN 0.551 nan 8.360 nan 0.000 0.709 282 S N 0.787 116.483 115.700 -0.006 0.000 2.537 282 S HA -0.072 4.398 4.470 -0.001 0.000 0.240 282 S C 1.729 176.317 174.600 -0.021 0.000 0.981 282 S CA 0.798 58.991 58.200 -0.011 0.000 0.948 282 S CB -0.025 63.170 63.200 -0.009 0.000 0.759 282 S HN 0.012 nan 8.310 nan 0.000 0.531 283 L N 0.284 121.492 121.223 -0.025 0.000 2.425 283 L HA 0.441 4.781 4.340 -0.001 0.000 0.215 283 L C 2.354 179.203 176.870 -0.035 0.000 1.065 283 L CA 0.877 55.695 54.840 -0.037 0.000 0.842 283 L CB -0.466 41.563 42.059 -0.050 0.000 1.033 283 L HN 0.178 nan 8.230 nan 0.000 0.474 284 K N 0.941 121.325 120.400 -0.027 0.000 2.025 284 K HA -0.171 4.148 4.320 -0.001 0.000 0.207 284 K C 2.061 178.647 176.600 -0.022 0.000 1.049 284 K CA 1.665 57.937 56.287 -0.024 0.000 0.933 284 K CB -0.036 32.454 32.500 -0.016 0.000 0.714 284 K HN 0.325 nan 8.250 nan 0.000 0.438 285 K N 0.209 120.598 120.400 -0.018 0.000 2.002 285 K HA -0.186 4.134 4.320 -0.001 0.000 0.209 285 K C 1.919 178.507 176.600 -0.021 0.000 1.048 285 K CA 1.809 58.086 56.287 -0.017 0.000 0.930 285 K CB -0.439 32.053 32.500 -0.013 0.000 0.714 285 K HN 0.233 nan 8.250 nan 0.000 0.438 286 E N 0.944 121.130 120.200 -0.024 0.000 2.515 286 E HA -0.060 4.290 4.350 -0.001 0.000 0.201 286 E C 1.646 178.228 176.600 -0.031 0.000 1.071 286 E CA 0.385 56.769 56.400 -0.027 0.000 0.880 286 E CB -0.171 29.511 29.700 -0.030 0.000 0.828 286 E HN 0.567 nan 8.360 nan 0.000 0.540 287 G N 0.547 109.328 108.800 -0.031 0.000 2.394 287 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.214 287 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.214 287 G C 1.520 176.401 174.900 -0.032 0.000 1.176 287 G CA 1.014 46.093 45.100 -0.035 0.000 0.786 287 G HN 0.273 nan 8.290 nan 0.000 0.533 288 V N -0.877 119.021 119.914 -0.028 0.000 2.249 288 V HA 0.000 4.120 4.120 -0.001 0.000 0.239 288 V C 2.261 178.340 176.094 -0.024 0.000 1.038 288 V CA 2.093 64.377 62.300 -0.027 0.000 1.005 288 V CB -1.316 30.492 31.823 -0.025 0.000 0.646 288 V HN 0.389 nan 8.190 nan 0.000 0.455 289 E N 0.848 121.036 120.200 -0.020 0.000 2.208 289 E HA -0.315 4.034 4.350 -0.001 0.000 0.202 289 E C 2.072 178.661 176.600 -0.018 0.000 1.014 289 E CA 2.158 58.548 56.400 -0.016 0.000 0.819 289 E CB -0.275 29.416 29.700 -0.015 0.000 0.735 289 E HN 0.752 nan 8.360 nan 0.000 0.469 290 K N 1.121 121.507 120.400 -0.023 0.000 1.978 290 K HA -0.139 4.180 4.320 -0.001 0.000 0.221 290 K C 0.570 177.155 176.600 -0.024 0.000 1.036 290 K CA 1.222 57.494 56.287 -0.025 0.000 0.996 290 K CB -0.133 32.348 32.500 -0.031 0.000 0.755 290 K HN -0.113 nan 8.250 nan 0.000 0.445 291 D N 1.314 121.697 120.400 -0.028 0.000 2.348 291 D HA 0.072 4.711 4.640 -0.001 0.000 0.259 291 D C -0.132 176.151 176.300 -0.029 0.000 1.296 291 D CA 0.295 54.277 54.000 -0.029 0.000 0.931 291 D CB 0.369 41.148 40.800 -0.034 0.000 1.067 291 D HN 0.171 nan 8.370 nan 0.000 0.503 292 R N 2.358 122.844 120.500 -0.023 0.000 3.176 292 R HA 0.544 4.884 4.340 -0.001 0.000 0.247 292 R C -0.618 175.673 176.300 -0.015 0.000 1.382 292 R CA -0.786 55.303 56.100 -0.020 0.000 1.040 292 R CB 0.624 30.919 30.300 -0.007 0.000 1.426 292 R HN 0.288 nan 8.270 nan 0.000 0.485 293 I N 2.003 122.576 120.570 0.005 0.000 2.328 293 I HA 0.123 4.292 4.170 -0.001 0.000 0.287 293 I C -0.221 175.915 176.117 0.032 0.000 1.012 293 I CA -0.706 60.606 61.300 0.020 0.000 1.195 293 I CB 1.326 39.360 38.000 0.056 0.000 1.350 293 I HN 0.305 nan 8.210 nan 0.000 0.464 294 D N 7.440 127.846 120.400 0.009 0.000 2.376 294 D HA 0.143 4.782 4.640 -0.001 0.000 0.278 294 D C -0.466 175.833 176.300 -0.001 0.000 1.384 294 D CA 0.277 54.279 54.000 0.003 0.000 1.033 294 D CB 0.309 41.106 40.800 -0.004 0.000 1.102 294 D HN 0.268 nan 8.370 nan 0.000 0.530 295 V N 1.674 121.588 119.914 -0.000 0.000 2.823 295 V HA 0.548 4.668 4.120 -0.001 0.000 0.312 295 V C 0.084 176.166 176.094 -0.020 0.000 1.072 295 V CA -1.272 61.009 62.300 -0.031 0.000 0.937 295 V CB 1.695 33.475 31.823 -0.071 0.000 1.013 295 V HN 0.294 nan 8.190 nan 0.000 0.430 296 L N 0.915 122.127 121.223 -0.018 0.000 2.261 296 L HA 0.642 4.982 4.340 -0.001 0.000 0.289 296 L C 0.128 177.001 176.870 0.005 0.000 1.059 296 L CA -0.563 54.278 54.840 0.002 0.000 0.816 296 L CB 0.038 42.107 42.059 0.016 0.000 1.191 296 L HN 0.649 nan 8.230 nan 0.000 0.431 297 K N 2.244 122.646 120.400 0.002 0.000 2.179 297 K HA 0.740 5.060 4.320 -0.001 0.000 0.238 297 K C 0.704 177.318 176.600 0.023 0.000 1.033 297 K CA -0.122 56.169 56.287 0.007 0.000 0.926 297 K CB 0.698 33.196 32.500 -0.004 0.000 1.151 297 K HN 0.850 nan 8.250 nan 0.000 0.492 298 G N 0.731 109.539 108.800 0.014 0.000 2.749 298 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.242 298 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.242 298 G C 0.529 175.454 174.900 0.041 0.000 1.364 298 G CA 0.442 45.513 45.100 -0.048 0.000 0.888 298 G HN 0.828 nan 8.290 nan 0.000 0.566 299 E N -0.034 120.151 120.200 -0.025 0.000 2.455 299 E HA -0.111 4.238 4.350 -0.001 0.000 0.202 299 E C 2.238 178.884 176.600 0.075 0.000 1.045 299 E CA 1.415 57.846 56.400 0.052 0.000 0.872 299 E CB -0.197 29.498 29.700 -0.008 0.000 0.792 299 E HN 0.525 nan 8.360 nan 0.000 0.542 300 K N -0.521 119.913 120.400 0.057 0.000 2.211 300 K HA -0.091 4.228 4.320 -0.001 0.000 0.203 300 K C 1.845 178.498 176.600 0.088 0.000 1.050 300 K CA 0.895 57.214 56.287 0.052 0.000 0.945 300 K CB 0.115 32.634 32.500 0.032 0.000 0.732 300 K HN 0.128 nan 8.250 nan 0.000 0.451 301 A N 1.158 124.070 122.820 0.153 0.000 1.887 301 A HA -0.028 4.292 4.320 -0.001 0.000 0.210 301 A C 1.890 179.651 177.584 0.294 0.000 1.221 301 A CA 0.178 52.354 52.037 0.231 0.000 0.635 301 A CB -0.441 18.724 19.000 0.275 0.000 0.881 301 A HN 0.180 nan 8.150 nan 0.000 0.456 302 L N -0.306 121.160 121.223 0.406 0.000 2.468 302 L HA -0.199 4.140 4.340 -0.001 0.000 0.225 302 L C 1.909 178.795 176.870 0.027 0.000 1.139 302 L CA 1.739 56.736 54.840 0.261 0.000 0.792 302 L CB -0.349 41.954 42.059 0.407 0.000 0.916 302 L HN 0.169 nan 8.230 nan 0.000 0.446 303 K N -0.742 119.691 120.400 0.055 0.000 2.044 303 K HA 0.166 4.485 4.320 -0.001 0.000 0.204 303 K C 1.969 178.561 176.600 -0.014 0.000 1.045 303 K CA 1.298 57.591 56.287 0.010 0.000 0.951 303 K CB -0.509 32.006 32.500 0.026 0.000 0.738 303 K HN 0.393 nan 8.250 nan 0.000 0.443 304 A N 0.782 123.609 122.820 0.012 0.000 2.169 304 A HA -0.051 4.268 4.320 -0.001 0.000 0.212 304 A C 2.178 179.742 177.584 -0.034 0.000 1.153 304 A CA 1.431 53.472 52.037 0.006 0.000 0.756 304 A CB -0.367 18.656 19.000 0.038 0.000 0.813 304 A HN 0.308 nan 8.150 nan 0.000 0.471 305 S N -0.876 114.761 115.700 -0.105 0.000 2.372 305 S HA 0.025 4.495 4.470 -0.001 0.000 0.227 305 S C 1.839 176.237 174.600 -0.337 0.000 1.044 305 S CA 2.628 60.611 58.200 -0.362 0.000 1.050 305 S CB -0.438 62.147 63.200 -1.026 0.000 0.901 305 S HN 1.858 nan 8.310 nan 0.000 0.447 306 G N 0.490 109.135 108.800 -0.257 0.000 2.729 306 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.216 306 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.216 306 G C 0.002 174.776 174.900 -0.210 0.000 1.252 306 G CA 0.079 45.081 45.100 -0.163 0.000 0.751 306 G HN 0.649 nan 8.290 nan 0.000 0.527 307 L N 1.436 122.387 121.223 -0.454 0.000 2.586 307 L HA 0.277 4.617 4.340 -0.001 0.000 0.307 307 L C 1.308 178.043 176.870 -0.226 0.000 1.274 307 L CA 0.533 55.049 54.840 -0.539 0.000 0.857 307 L CB 0.170 41.608 42.059 -1.035 0.000 1.099 307 L HN 0.212 nan 8.230 nan 0.000 0.525 308 V N 5.126 125.055 119.914 0.026 0.000 2.455 308 V HA 0.089 4.208 4.120 -0.001 0.000 0.273 308 V C -1.241 174.753 176.094 -0.168 0.000 1.045 308 V CA -0.950 61.332 62.300 -0.031 0.000 0.976 308 V CB 1.104 32.937 31.823 0.017 0.000 0.993 308 V HN 0.733 nan 8.190 nan 0.000 0.475 309 P HA -0.219 nan 4.420 nan 0.000 0.217 309 P C 1.423 178.654 177.300 -0.114 0.000 1.158 309 P CA 1.508 64.561 63.100 -0.079 0.000 0.887 309 P CB 0.244 31.919 31.700 -0.042 0.000 0.792 310 E N -2.028 118.031 120.200 -0.235 0.000 2.209 310 E HA -0.219 4.131 4.350 -0.001 0.000 0.196 310 E C 1.841 178.298 176.600 -0.238 0.000 0.993 310 E CA 1.024 57.284 56.400 -0.233 0.000 0.819 310 E CB -0.478 29.042 29.700 -0.300 0.000 0.745 310 E HN 0.575 nan 8.360 nan 0.000 0.477 311 H N 0.186 119.109 119.070 -0.244 0.000 2.306 311 H HA 0.075 4.631 4.556 -0.001 0.000 0.307 311 H C 2.300 177.181 175.328 -0.745 0.000 1.061 311 H CA 0.599 56.318 56.048 -0.549 0.000 1.359 311 H CB -0.067 29.388 29.762 -0.510 0.000 1.407 311 H HN 0.148 nan 8.280 nan 0.000 0.517 312 A N 1.397 123.995 122.820 -0.370 0.000 1.915 312 A HA -0.310 4.010 4.320 -0.001 0.000 0.220 312 A C 1.904 179.501 177.584 0.021 0.000 1.198 312 A CA 2.399 54.301 52.037 -0.224 0.000 0.647 312 A CB -0.643 18.188 19.000 -0.281 0.000 0.825 312 A HN 0.457 nan 8.150 nan 0.000 0.456 313 D N -0.471 120.001 120.400 0.121 0.000 2.097 313 D HA -0.060 4.580 4.640 -0.001 0.000 0.195 313 D C 2.364 178.736 176.300 0.120 0.000 0.989 313 D CA 1.463 55.593 54.000 0.218 0.000 0.827 313 D CB -0.366 40.515 40.800 0.135 0.000 0.966 313 D HN 0.449 nan 8.370 nan 0.000 0.456 314 A N 0.833 123.645 122.820 -0.012 0.000 1.917 314 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 314 A C 2.182 179.842 177.584 0.126 0.000 1.182 314 A CA 1.284 53.321 52.037 -0.000 0.000 0.633 314 A CB -1.232 17.704 19.000 -0.106 0.000 0.819 314 A HN 0.241 nan 8.150 nan 0.000 0.448 315 F N -0.386 119.621 119.950 0.095 0.000 2.102 315 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 315 F C 2.403 178.265 175.800 0.104 0.000 1.105 315 F CA 1.383 59.439 58.000 0.093 0.000 1.239 315 F CB -0.186 38.857 39.000 0.071 0.000 0.991 315 F HN 0.181 nan 8.300 nan 0.000 0.474 316 K N 1.123 121.722 120.400 0.331 0.000 2.163 316 K HA -0.322 3.997 4.320 -0.001 0.000 0.210 316 K C 2.103 178.818 176.600 0.192 0.000 1.048 316 K CA 1.888 58.336 56.287 0.270 0.000 0.928 316 K CB -0.218 32.474 32.500 0.319 0.000 0.716 316 K HN 0.187 nan 8.250 nan 0.000 0.459 317 K N 0.397 120.904 120.400 0.178 0.000 2.001 317 K HA -0.157 4.162 4.320 -0.001 0.000 0.208 317 K C 2.056 178.735 176.600 0.131 0.000 1.048 317 K CA 1.577 57.946 56.287 0.137 0.000 0.932 317 K CB -0.138 32.437 32.500 0.126 0.000 0.715 317 K HN 0.031 nan 8.250 nan 0.000 0.437 318 I N 1.989 122.654 120.570 0.158 0.000 2.118 318 I HA -0.298 3.872 4.170 -0.001 0.000 0.241 318 I C 2.524 178.710 176.117 0.116 0.000 1.070 318 I CA 1.661 63.044 61.300 0.137 0.000 1.327 318 I CB -0.765 37.330 38.000 0.157 0.000 1.034 318 I HN 0.262 nan 8.210 nan 0.000 0.405 319 A N 0.684 123.576 122.820 0.120 0.000 1.870 319 A HA -0.327 3.992 4.320 -0.001 0.000 0.219 319 A C 2.468 180.094 177.584 0.071 0.000 1.224 319 A CA 2.552 54.639 52.037 0.083 0.000 0.650 319 A CB -0.881 18.158 19.000 0.064 0.000 0.836 319 A HN 0.381 nan 8.150 nan 0.000 0.454 320 R N -1.030 119.512 120.500 0.071 0.000 2.113 320 R HA -0.200 4.140 4.340 -0.001 0.000 0.231 320 R C 2.439 178.776 176.300 0.061 0.000 1.129 320 R CA 1.695 57.830 56.100 0.059 0.000 0.915 320 R CB -0.649 29.687 30.300 0.060 0.000 0.837 320 R HN 0.831 nan 8.270 nan 0.000 0.430 321 E N 1.016 121.256 120.200 0.067 0.000 2.068 321 E HA -0.250 4.100 4.350 -0.001 0.000 0.207 321 E C 1.907 178.540 176.600 0.055 0.000 1.032 321 E CA 1.710 58.146 56.400 0.060 0.000 0.839 321 E CB -0.117 29.624 29.700 0.068 0.000 0.758 321 E HN 0.309 nan 8.360 nan 0.000 0.457 322 L N 0.070 121.334 121.223 0.069 0.000 2.418 322 L HA 0.035 4.375 4.340 -0.001 0.000 0.218 322 L C 0.871 177.783 176.870 0.069 0.000 1.125 322 L CA 0.507 55.387 54.840 0.067 0.000 0.835 322 L CB -0.476 41.638 42.059 0.091 0.000 0.953 322 L HN 0.365 nan 8.230 nan 0.000 0.454 323 N N 1.076 119.829 118.700 0.088 0.000 2.643 323 N HA -0.163 4.576 4.740 -0.001 0.000 0.267 323 N C -0.455 175.194 175.510 0.232 0.000 1.158 323 N CA 0.484 53.612 53.050 0.131 0.000 0.684 323 N CB -0.382 38.154 38.487 0.081 0.000 0.879 323 N HN 0.395 nan 8.380 nan 0.000 0.553 324 T N -0.282 114.402 114.554 0.217 0.000 3.291 324 T HA 0.315 4.664 4.350 -0.001 0.000 0.344 324 T C -0.654 174.168 174.700 0.205 0.000 1.293 324 T CA -0.707 61.570 62.100 0.296 0.000 1.108 324 T CB 0.577 69.577 68.868 0.221 0.000 1.231 324 T HN 0.194 nan 8.240 nan 0.000 0.474 325 Y N 2.566 122.884 120.300 0.030 0.000 2.511 325 Y HA 0.492 5.041 4.550 -0.000 0.000 0.332 325 Y C 0.786 176.700 175.900 0.024 0.000 1.177 325 Y CA -0.719 57.375 58.100 -0.009 0.000 1.422 325 Y CB 0.378 38.800 38.460 -0.063 0.000 1.271 325 Y HN 0.572 nan 8.280 nan 0.000 0.550 326 I N 5.114 125.748 120.570 0.108 0.000 2.382 326 I HA 0.288 4.457 4.170 -0.001 0.000 0.286 326 I C -1.233 174.856 176.117 -0.046 0.000 1.002 326 I CA -0.634 60.656 61.300 -0.017 0.000 1.135 326 I CB 1.023 39.003 38.000 -0.034 0.000 1.288 326 I HN 0.258 nan 8.210 nan 0.000 0.448 327 L N 6.768 127.908 121.223 -0.138 0.000 2.346 327 L HA 0.613 4.953 4.340 -0.001 0.000 0.274 327 L C -0.777 175.961 176.870 -0.219 0.000 1.007 327 L CA -0.155 54.664 54.840 -0.035 0.000 0.818 327 L CB 1.254 43.381 42.059 0.114 0.000 1.284 327 L HN 0.278 nan 8.230 nan 0.000 0.424 328 F N 0.642 120.684 119.950 0.153 0.000 2.577 328 F HA 0.668 5.195 4.527 -0.001 0.000 0.318 328 F C 0.548 176.453 175.800 0.175 0.000 1.065 328 F CA -0.887 57.204 58.000 0.152 0.000 0.929 328 F CB 1.583 40.615 39.000 0.053 0.000 1.237 328 F HN 0.289 nan 8.300 nan 0.000 0.468 329 R N 0.771 121.498 120.500 0.378 0.000 2.541 329 R HA 0.434 4.774 4.340 -0.001 0.000 0.254 329 R C -2.565 173.870 176.300 0.226 0.000 1.130 329 R CA -1.763 54.518 56.100 0.302 0.000 1.152 329 R CB 0.117 30.599 30.300 0.303 0.000 1.222 329 R HN 0.227 nan 8.270 nan 0.000 0.579 330 P HA 0.011 nan 4.420 nan 0.000 0.267 330 P C -0.888 176.473 177.300 0.101 0.000 1.209 330 P CA 0.080 63.244 63.100 0.108 0.000 0.763 330 P CB 0.468 32.229 31.700 0.101 0.000 0.816 331 V N 3.720 123.665 119.914 0.052 0.000 2.364 331 V HA 0.194 4.314 4.120 -0.001 0.000 0.272 331 V C 0.775 176.897 176.094 0.048 0.000 1.036 331 V CA -0.999 61.347 62.300 0.077 0.000 0.880 331 V CB 0.543 32.407 31.823 0.069 0.000 0.991 331 V HN 0.539 nan 8.190 nan 0.000 0.460 332 N N 3.858 122.593 118.700 0.058 0.000 2.219 332 N HA -0.073 4.667 4.740 -0.001 0.000 0.263 332 N C 1.025 176.549 175.510 0.024 0.000 1.269 332 N CA 0.315 53.390 53.050 0.041 0.000 0.831 332 N CB 0.891 39.403 38.487 0.040 0.000 1.059 332 N HN 0.604 nan 8.380 nan 0.000 0.475 333 K N 3.043 123.453 120.400 0.018 0.000 2.097 333 K HA -0.053 4.267 4.320 -0.001 0.000 0.206 333 K C 1.187 177.791 176.600 0.007 0.000 1.049 333 K CA 0.864 57.156 56.287 0.008 0.000 0.933 333 K CB -0.048 32.457 32.500 0.009 0.000 0.717 333 K HN 0.393 nan 8.250 nan 0.000 0.442 334 L N -0.001 121.230 121.223 0.013 0.000 2.786 334 L HA -0.004 4.335 4.340 -0.001 0.000 0.250 334 L C 1.096 177.957 176.870 -0.015 0.000 1.151 334 L CA 0.857 55.702 54.840 0.008 0.000 0.910 334 L CB -0.932 41.141 42.059 0.022 0.000 1.082 334 L HN 0.209 nan 8.230 nan 0.000 0.433 335 A N -3.336 119.472 122.820 -0.020 0.000 2.606 335 A HA 0.122 4.442 4.320 -0.001 0.000 0.230 335 A C 1.880 179.449 177.584 -0.025 0.000 1.279 335 A CA 0.454 52.459 52.037 -0.052 0.000 1.010 335 A CB -0.102 18.867 19.000 -0.053 0.000 1.271 335 A HN 0.266 nan 8.150 nan 0.000 0.584 336 T N 1.745 116.300 114.554 0.001 0.000 2.624 336 T HA -0.208 4.142 4.350 -0.001 0.000 0.268 336 T C 1.718 176.429 174.700 0.019 0.000 1.041 336 T CA 2.050 64.161 62.100 0.020 0.000 1.159 336 T CB -0.327 68.541 68.868 -0.000 0.000 0.863 336 T HN 0.524 nan 8.240 nan 0.000 0.434 337 N N 1.057 119.757 118.700 -0.000 0.000 2.290 337 N HA 0.132 4.872 4.740 -0.001 0.000 0.179 337 N C 1.997 177.505 175.510 -0.003 0.000 1.016 337 N CA 0.514 53.564 53.050 0.000 0.000 0.871 337 N CB -0.400 38.084 38.487 -0.004 0.000 0.987 337 N HN 0.336 nan 8.380 nan 0.000 0.431 338 L N 1.086 122.286 121.223 -0.039 0.000 2.189 338 L HA -0.148 4.192 4.340 -0.001 0.000 0.214 338 L C 2.121 178.967 176.870 -0.039 0.000 1.097 338 L CA 0.882 55.669 54.840 -0.089 0.000 0.764 338 L CB -0.457 41.457 42.059 -0.241 0.000 0.900 338 L HN 0.132 nan 8.230 nan 0.000 0.436 339 I N -0.040 120.537 120.570 0.011 0.000 2.130 339 I HA -0.282 3.887 4.170 -0.001 0.000 0.234 339 I C 2.681 178.932 176.117 0.224 0.000 1.067 339 I CA 1.213 62.583 61.300 0.116 0.000 1.339 339 I CB -0.327 37.709 38.000 0.060 0.000 1.073 339 I HN 0.165 nan 8.210 nan 0.000 0.405 340 K N 0.935 121.434 120.400 0.165 0.000 2.107 340 K HA -0.293 4.026 4.320 -0.001 0.000 0.211 340 K C 2.287 178.933 176.600 0.077 0.000 1.049 340 K CA 2.171 58.534 56.287 0.127 0.000 0.927 340 K CB -0.231 32.271 32.500 0.004 0.000 0.714 340 K HN 0.254 nan 8.250 nan 0.000 0.452 341 S N -1.195 114.526 115.700 0.035 0.000 2.368 341 S HA -0.164 4.306 4.470 -0.001 0.000 0.226 341 S C 1.354 175.926 174.600 -0.046 0.000 1.044 341 S CA 2.132 60.329 58.200 -0.005 0.000 1.062 341 S CB -0.425 62.774 63.200 -0.002 0.000 0.931 341 S HN 0.704 nan 8.310 nan 0.000 0.440 342 G N -0.793 107.965 108.800 -0.071 0.000 2.276 342 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.177 342 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.177 342 G C -0.196 174.563 174.900 -0.234 0.000 1.017 342 G CA -0.118 44.825 45.100 -0.263 0.000 0.750 342 G HN 0.629 nan 8.290 nan 0.000 0.506 343 V N 1.681 121.541 119.914 -0.089 0.000 2.572 343 V HA 0.612 4.732 4.120 -0.001 0.000 0.291 343 V C 1.262 177.357 176.094 0.001 0.000 1.039 343 V CA 0.197 62.453 62.300 -0.072 0.000 1.055 343 V CB 0.999 32.740 31.823 -0.136 0.000 0.969 343 V HN 0.877 nan 8.190 nan 0.000 0.482 344 A N 4.433 127.249 122.820 -0.007 0.000 2.327 344 A HA 0.638 4.957 4.320 -0.001 0.000 0.255 344 A C 0.612 178.200 177.584 0.007 0.000 1.099 344 A CA 0.055 52.132 52.037 0.067 0.000 0.801 344 A CB 0.223 19.233 19.000 0.015 0.000 1.062 344 A HN 0.988 nan 8.150 nan 0.000 0.496 345 T N -1.020 113.518 114.554 -0.026 0.000 2.925 345 T HA 0.524 4.874 4.350 -0.001 0.000 0.285 345 T C -0.196 174.450 174.700 -0.090 0.000 1.021 345 T CA -0.863 61.178 62.100 -0.098 0.000 1.042 345 T CB 1.046 69.799 68.868 -0.191 0.000 1.037 345 T HN 0.716 nan 8.240 nan 0.000 0.481 346 K N 1.255 121.605 120.400 -0.084 0.000 2.447 346 K HA 0.393 4.713 4.320 -0.001 0.000 0.281 346 K C 0.810 177.354 176.600 -0.093 0.000 1.031 346 K CA -0.212 56.029 56.287 -0.078 0.000 1.019 346 K CB -0.222 32.243 32.500 -0.059 0.000 0.918 346 K HN 0.820 nan 8.250 nan 0.000 0.476 347 G N 2.989 111.724 108.800 -0.107 0.000 2.630 347 G HA2 0.190 4.150 3.960 -0.001 0.000 0.223 347 G HA3 0.190 4.150 3.960 -0.001 0.000 0.223 347 G C 0.542 175.380 174.900 -0.102 0.000 1.434 347 G CA -0.588 44.448 45.100 -0.106 0.000 1.057 347 G HN 0.629 nan 8.290 nan 0.000 0.570 348 L N 0.668 121.835 121.223 -0.094 0.000 2.307 348 L HA 0.054 4.394 4.340 -0.001 0.000 0.211 348 L C 2.708 179.397 176.870 -0.302 0.000 1.099 348 L CA 0.616 55.382 54.840 -0.124 0.000 0.816 348 L CB -0.250 41.808 42.059 -0.001 0.000 0.952 348 L HN 0.647 nan 8.230 nan 0.000 0.455 349 N N 0.091 118.619 118.700 -0.287 0.000 2.205 349 N HA -0.112 4.628 4.740 -0.001 0.000 0.186 349 N C 0.524 175.835 175.510 -0.332 0.000 1.015 349 N CA 0.690 53.498 53.050 -0.402 0.000 0.862 349 N CB -0.228 37.930 38.487 -0.549 0.000 0.986 349 N HN 0.133 nan 8.380 nan 0.000 0.429 350 V N 1.000 120.704 119.914 -0.351 0.000 2.483 350 V HA 0.163 4.283 4.120 -0.001 0.000 0.295 350 V C -0.585 175.233 176.094 -0.460 0.000 1.035 350 V CA -0.556 61.584 62.300 -0.266 0.000 0.896 350 V CB 1.367 33.115 31.823 -0.126 0.000 0.986 350 V HN 0.232 nan 8.190 nan 0.000 0.447 351 H N 1.776 120.832 119.070 -0.023 0.000 2.575 351 H HA 0.432 4.988 4.556 -0.000 0.000 0.256 351 H C 0.879 176.190 175.328 -0.028 0.000 1.162 351 H CA 0.184 56.210 56.048 -0.037 0.000 0.969 351 H CB 0.759 30.485 29.762 -0.059 0.000 1.796 351 H HN 0.788 nan 8.280 nan 0.000 0.607 352 G N 0.572 109.397 108.800 0.042 0.000 2.572 352 G HA2 0.241 4.201 3.960 -0.001 0.000 0.261 352 G HA3 0.241 4.201 3.960 -0.001 0.000 0.261 352 G C -0.221 174.699 174.900 0.033 0.000 1.197 352 G CA -0.738 44.380 45.100 0.032 0.000 0.870 352 G HN 0.033 nan 8.290 nan 0.000 0.548 353 K N 0.723 121.146 120.400 0.039 0.000 2.172 353 K HA 0.332 4.652 4.320 -0.001 0.000 0.276 353 K C 0.679 177.316 176.600 0.061 0.000 1.013 353 K CA -0.400 55.919 56.287 0.052 0.000 0.913 353 K CB 1.662 34.200 32.500 0.064 0.000 1.055 353 K HN 0.441 nan 8.250 nan 0.000 0.461 354 S N 1.053 116.790 115.700 0.061 0.000 2.618 354 S HA 0.196 4.665 4.470 -0.001 0.000 0.254 354 S C 0.140 174.792 174.600 0.087 0.000 1.284 354 S CA -0.137 58.100 58.200 0.062 0.000 0.975 354 S CB 0.503 63.734 63.200 0.050 0.000 1.022 354 S HN 0.601 nan 8.310 nan 0.000 0.571 355 S N -0.902 114.846 115.700 0.079 0.000 2.607 355 S HA 0.545 5.014 4.470 -0.001 0.000 0.273 355 S C -2.071 172.595 174.600 0.109 0.000 1.148 355 S CA -0.471 57.793 58.200 0.107 0.000 0.833 355 S CB 1.316 64.496 63.200 -0.034 0.000 1.130 355 S HN 0.781 nan 8.310 nan 0.000 0.470 356 D N 1.344 121.889 120.400 0.242 0.000 2.837 356 D HA 0.282 4.921 4.640 -0.001 0.000 0.340 356 D C -0.266 176.231 176.300 0.328 0.000 1.451 356 D CA -0.260 53.872 54.000 0.219 0.000 0.798 356 D CB -0.244 40.673 40.800 0.196 0.000 1.169 356 D HN 0.544 nan 8.370 nan 0.000 0.449 357 W N -0.570 120.709 121.300 -0.035 0.000 3.319 357 W HA 0.487 5.146 4.660 -0.000 0.000 0.300 357 W C 0.070 176.500 176.519 -0.149 0.000 1.244 357 W CA -0.804 56.496 57.345 -0.076 0.000 1.193 357 W CB 0.394 29.812 29.460 -0.071 0.000 1.359 357 W HN 0.456 nan 8.180 nan 0.000 0.568 358 G N 1.987 110.638 108.800 -0.249 0.000 2.782 358 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.228 358 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.228 358 G C -1.190 173.390 174.900 -0.533 0.000 1.372 358 G CA -0.103 44.625 45.100 -0.620 0.000 0.862 358 G HN 0.527 nan 8.290 nan 0.000 0.547 359 P HA -0.124 nan 4.420 nan 0.000 0.215 359 P C 2.062 179.173 177.300 -0.315 0.000 1.157 359 P CA 2.342 65.235 63.100 -0.346 0.000 0.868 359 P CB -0.132 31.399 31.700 -0.281 0.000 0.788 360 V N 0.571 120.238 119.914 -0.412 0.000 2.568 360 V HA -0.108 4.012 4.120 -0.001 0.000 0.253 360 V C 1.227 177.238 176.094 -0.138 0.000 1.072 360 V CA 1.204 63.300 62.300 -0.340 0.000 1.084 360 V CB -1.730 29.876 31.823 -0.362 0.000 0.676 360 V HN 0.201 nan 8.190 nan 0.000 0.469 361 A N 0.210 122.901 122.820 -0.216 0.000 2.602 361 A HA 0.289 4.609 4.320 -0.001 0.000 0.257 361 A C 1.607 179.236 177.584 0.075 0.000 0.973 361 A CA 1.059 53.043 52.037 -0.088 0.000 0.862 361 A CB -1.329 17.615 19.000 -0.092 0.000 0.855 361 A HN 2.100 nan 8.150 nan 0.000 0.492 362 G N 0.910 109.744 108.800 0.055 0.000 2.157 362 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.239 362 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.239 362 G C -0.121 174.747 174.900 -0.052 0.000 0.982 362 G CA 0.591 45.694 45.100 0.006 0.000 0.650 362 G HN 1.050 nan 8.290 nan 0.000 0.527 363 Y N -0.592 119.676 120.300 -0.053 0.000 2.630 363 Y HA 0.695 5.245 4.550 -0.001 0.000 0.337 363 Y C 0.590 176.470 175.900 -0.033 0.000 1.051 363 Y CA -1.496 56.579 58.100 -0.043 0.000 1.121 363 Y CB 1.189 39.614 38.460 -0.059 0.000 1.299 363 Y HN 0.019 nan 8.280 nan 0.000 0.498 364 I N 4.127 124.795 120.570 0.164 0.000 2.317 364 I HA 0.199 4.368 4.170 -0.001 0.000 0.286 364 I C -2.585 173.589 176.117 0.096 0.000 1.119 364 I CA -2.630 58.727 61.300 0.095 0.000 1.228 364 I CB -0.495 37.545 38.000 0.067 0.000 1.476 364 I HN 0.209 nan 8.210 nan 0.000 0.514 365 P HA -0.131 nan 4.420 nan 0.000 0.260 365 P C 0.920 178.265 177.300 0.075 0.000 1.185 365 P CA 0.200 63.325 63.100 0.041 0.000 0.763 365 P CB 0.550 32.246 31.700 -0.007 0.000 0.776 366 F N 3.861 123.813 119.950 0.004 0.000 2.202 366 F HA -0.178 4.349 4.527 -0.000 0.000 0.301 366 F C 0.717 176.551 175.800 0.056 0.000 1.082 366 F CA 1.161 59.177 58.000 0.027 0.000 1.313 366 F CB -0.252 38.755 39.000 0.012 0.000 1.024 366 F HN 0.211 nan 8.300 nan 0.000 0.495 367 D N 0.346 120.775 120.400 0.048 0.000 2.316 367 D HA 0.061 4.701 4.640 -0.001 0.000 0.245 367 D C 0.911 177.244 176.300 0.055 0.000 1.171 367 D CA -0.059 53.971 54.000 0.050 0.000 0.856 367 D CB 0.894 41.837 40.800 0.238 0.000 1.090 367 D HN 0.121 nan 8.370 nan 0.000 0.476 368 Q N 2.561 122.371 119.800 0.017 0.000 2.378 368 Q HA -0.086 4.254 4.340 -0.001 0.000 0.205 368 Q C 0.698 176.817 176.000 0.199 0.000 0.954 368 Q CA 0.639 56.488 55.803 0.077 0.000 0.901 368 Q CB 0.108 28.859 28.738 0.022 0.000 0.981 368 Q HN 0.674 nan 8.270 nan 0.000 0.483 369 D N -0.073 120.498 120.400 0.284 0.000 2.378 369 D HA -0.072 4.567 4.640 -0.001 0.000 0.222 369 D C 0.977 177.605 176.300 0.547 0.000 0.980 369 D CA 0.372 54.626 54.000 0.422 0.000 0.907 369 D CB 0.094 41.188 40.800 0.489 0.000 0.899 369 D HN 0.130 nan 8.370 nan 0.000 0.527 370 L N -0.016 121.470 121.223 0.438 0.000 2.741 370 L HA 0.226 4.565 4.340 -0.001 0.000 0.237 370 L C 0.265 177.273 176.870 0.231 0.000 1.178 370 L CA -0.273 54.776 54.840 0.348 0.000 0.973 370 L CB 0.041 42.183 42.059 0.139 0.000 1.255 370 L HN 0.037 nan 8.230 nan 0.000 0.498 371 S N -2.499 113.422 115.700 0.368 0.000 2.751 371 S HA 0.299 4.769 4.470 -0.001 0.000 0.310 371 S C 0.970 175.843 174.600 0.455 0.000 1.128 371 S CA -0.663 57.735 58.200 0.329 0.000 0.931 371 S CB 1.554 64.862 63.200 0.180 0.000 1.177 371 S HN 0.238 nan 8.310 nan 0.000 0.530 372 K N 0.674 121.270 120.400 0.327 0.000 2.071 372 K HA -0.186 4.133 4.320 -0.001 0.000 0.217 372 K C 0.502 177.202 176.600 0.167 0.000 1.054 372 K CA 1.480 57.906 56.287 0.233 0.000 0.937 372 K CB -0.587 32.002 32.500 0.148 0.000 0.719 372 K HN 0.309 nan 8.250 nan 0.000 0.454 373 K N 2.138 122.626 120.400 0.148 0.000 3.387 373 K HA -0.035 4.284 4.320 -0.001 0.000 0.300 373 K C -0.480 176.197 176.600 0.129 0.000 0.980 373 K CA 0.163 56.509 56.287 0.099 0.000 1.098 373 K CB -1.095 31.449 32.500 0.073 0.000 1.227 373 K HN 0.422 nan 8.250 nan 0.000 0.367 374 H N 0.053 119.143 119.070 0.033 0.000 3.015 374 H HA 0.293 4.849 4.556 -0.000 0.000 0.268 374 H C 1.254 176.538 175.328 -0.073 0.000 1.113 374 H CA 1.110 57.157 56.048 -0.002 0.000 1.479 374 H CB 0.078 29.769 29.762 -0.118 0.000 1.493 374 H HN 0.574 nan 8.280 nan 0.000 0.486 375 G N 4.108 112.727 108.800 -0.303 0.000 2.391 375 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.204 375 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.204 375 G C 0.277 175.096 174.900 -0.135 0.000 1.012 375 G CA -0.147 44.762 45.100 -0.318 0.000 0.651 375 G HN 0.579 nan 8.290 nan 0.000 0.494 376 Q N 1.888 121.645 119.800 -0.073 0.000 2.684 376 Q HA 0.287 4.627 4.340 -0.001 0.000 0.233 376 Q C 1.587 177.577 176.000 -0.018 0.000 1.352 376 Q CA 0.293 56.075 55.803 -0.035 0.000 0.872 376 Q CB 0.496 29.228 28.738 -0.009 0.000 1.674 376 Q HN 0.574 nan 8.270 nan 0.000 0.558 377 Q N 1.045 120.828 119.800 -0.029 0.000 2.458 377 Q HA -0.213 4.127 4.340 -0.001 0.000 0.215 377 Q C 0.514 176.513 176.000 -0.002 0.000 0.989 377 Q CA 1.173 56.968 55.803 -0.013 0.000 0.895 377 Q CB 0.278 29.004 28.738 -0.021 0.000 0.934 377 Q HN 0.578 nan 8.270 nan 0.000 0.475 378 L N -1.409 119.812 121.223 -0.004 0.000 2.577 378 L HA 0.243 4.583 4.340 -0.001 0.000 0.225 378 L C 1.939 178.811 176.870 0.003 0.000 1.053 378 L CA 1.037 55.877 54.840 -0.000 0.000 0.866 378 L CB -0.189 41.867 42.059 -0.004 0.000 1.132 378 L HN 0.059 nan 8.230 nan 0.000 0.486 379 A N -0.833 121.990 122.820 0.005 0.000 1.872 379 A HA -0.077 4.243 4.320 -0.001 0.000 0.214 379 A C 2.107 179.700 177.584 0.016 0.000 1.187 379 A CA 1.853 53.895 52.037 0.009 0.000 0.614 379 A CB -0.817 18.192 19.000 0.014 0.000 0.826 379 A HN 0.167 nan 8.150 nan 0.000 0.442 380 V N 0.104 120.035 119.914 0.028 0.000 2.261 380 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 380 V C 2.531 178.638 176.094 0.020 0.000 1.047 380 V CA 2.372 64.696 62.300 0.041 0.000 1.015 380 V CB -0.918 30.948 31.823 0.071 0.000 0.642 380 V HN 0.656 nan 8.190 nan 0.000 0.446 381 E N 0.414 120.625 120.200 0.019 0.000 2.171 381 E HA -0.253 4.096 4.350 -0.001 0.000 0.197 381 E C 2.158 178.759 176.600 0.002 0.000 0.997 381 E CA 1.667 58.075 56.400 0.013 0.000 0.810 381 E CB -0.199 29.508 29.700 0.011 0.000 0.738 381 E HN 0.565 nan 8.360 nan 0.000 0.467 382 K N -1.741 118.658 120.400 -0.001 0.000 2.352 382 K HA 0.098 4.418 4.320 -0.001 0.000 0.194 382 K C 1.824 178.416 176.600 -0.013 0.000 1.038 382 K CA 0.589 56.872 56.287 -0.008 0.000 1.023 382 K CB 0.145 32.639 32.500 -0.010 0.000 0.840 382 K HN 0.200 nan 8.250 nan 0.000 0.519 383 G N 1.258 110.051 108.800 -0.011 0.000 2.404 383 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.214 383 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.214 383 G C 1.211 176.079 174.900 -0.054 0.000 1.189 383 G CA 0.458 45.548 45.100 -0.016 0.000 0.789 383 G HN 0.226 nan 8.290 nan 0.000 0.533 384 N N 0.843 119.492 118.700 -0.084 0.000 2.069 384 N HA -0.097 4.643 4.740 -0.001 0.000 0.191 384 N C 2.080 177.520 175.510 -0.116 0.000 1.031 384 N CA 0.665 53.604 53.050 -0.185 0.000 0.852 384 N CB -0.601 37.790 38.487 -0.161 0.000 1.018 384 N HN 0.105 nan 8.380 nan 0.000 0.423 385 L N 1.588 122.782 121.223 -0.048 0.000 2.270 385 L HA -0.180 4.159 4.340 -0.001 0.000 0.217 385 L C 1.623 178.495 176.870 0.004 0.000 1.107 385 L CA 1.763 56.596 54.840 -0.011 0.000 0.772 385 L CB -0.541 41.515 42.059 -0.004 0.000 0.902 385 L HN 0.127 nan 8.230 nan 0.000 0.439 386 E N -0.711 119.487 120.200 -0.003 0.000 2.307 386 E HA -0.034 4.316 4.350 -0.001 0.000 0.195 386 E C 1.814 178.452 176.600 0.062 0.000 0.975 386 E CA 0.612 57.032 56.400 0.034 0.000 0.878 386 E CB 0.169 29.893 29.700 0.040 0.000 0.845 386 E HN 0.596 nan 8.360 nan 0.000 0.488 387 N N -0.025 118.686 118.700 0.018 0.000 2.250 387 N HA -0.071 4.669 4.740 -0.001 0.000 0.181 387 N C 1.440 177.043 175.510 0.155 0.000 1.017 387 N CA 0.698 53.788 53.050 0.066 0.000 0.866 387 N CB 0.100 38.574 38.487 -0.022 0.000 0.985 387 N HN -0.003 nan 8.380 nan 0.000 0.429 388 K N 1.646 122.128 120.400 0.137 0.000 1.991 388 K HA -0.179 4.140 4.320 -0.001 0.000 0.212 388 K C 2.015 178.701 176.600 0.142 0.000 1.049 388 K CA 1.141 57.544 56.287 0.194 0.000 0.932 388 K CB -0.173 32.416 32.500 0.149 0.000 0.717 388 K HN 0.106 nan 8.250 nan 0.000 0.441 389 K N 1.144 121.610 120.400 0.109 0.000 2.063 389 K HA -0.155 4.165 4.320 -0.001 0.000 0.208 389 K C 2.220 178.913 176.600 0.155 0.000 1.048 389 K CA 1.776 58.127 56.287 0.106 0.000 0.928 389 K CB -0.046 32.507 32.500 0.089 0.000 0.713 389 K HN 0.003 nan 8.250 nan 0.000 0.442 390 S N 0.944 116.746 115.700 0.169 0.000 2.380 390 S HA -0.187 4.283 4.470 -0.001 0.000 0.229 390 S C 1.873 176.602 174.600 0.215 0.000 1.043 390 S CA 1.712 60.029 58.200 0.195 0.000 1.038 390 S CB -0.239 63.034 63.200 0.122 0.000 0.872 390 S HN 0.310 nan 8.310 nan 0.000 0.456 391 I N 0.490 121.160 120.570 0.168 0.000 2.296 391 I HA -0.106 4.064 4.170 -0.001 0.000 0.242 391 I C 2.515 178.696 176.117 0.106 0.000 1.087 391 I CA 0.926 62.308 61.300 0.136 0.000 1.393 391 I CB -0.949 37.125 38.000 0.123 0.000 1.093 391 I HN 0.214 nan 8.210 nan 0.000 0.421 392 T N 0.894 115.505 114.554 0.095 0.000 2.536 392 T HA -0.285 4.065 4.350 -0.001 0.000 0.263 392 T C 1.713 176.424 174.700 0.019 0.000 1.115 392 T CA 2.078 64.210 62.100 0.054 0.000 1.180 392 T CB -0.512 68.388 68.868 0.054 0.000 0.864 392 T HN 0.407 nan 8.240 nan 0.000 0.419 393 E N 0.353 120.556 120.200 0.006 0.000 2.058 393 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 393 E C 0.901 177.319 176.600 -0.303 0.000 0.997 393 E CA 1.202 57.508 56.400 -0.158 0.000 0.801 393 E CB -0.180 29.394 29.700 -0.210 0.000 0.746 393 E HN 0.675 nan 8.360 nan 0.000 0.450 394 H N 1.063 120.151 119.070 0.031 0.000 2.499 394 H HA 0.105 4.661 4.556 -0.001 0.000 0.262 394 H C -0.700 174.640 175.328 0.020 0.000 1.363 394 H CA -0.583 55.479 56.048 0.023 0.000 1.072 394 H CB -0.303 29.472 29.762 0.023 0.000 1.602 394 H HN 0.099 nan 8.280 nan 0.000 0.526 395 E N -0.208 120.034 120.200 0.071 0.000 2.436 395 E HA 0.252 4.602 4.350 -0.001 0.000 0.262 395 E C 1.514 178.142 176.600 0.047 0.000 1.063 395 E CA 0.341 56.772 56.400 0.052 0.000 0.944 395 E CB 0.267 29.981 29.700 0.023 0.000 0.950 395 E HN 0.404 nan 8.360 nan 0.000 0.444 396 G N 1.594 110.415 108.800 0.035 0.000 2.363 396 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.238 396 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.238 396 G C 1.080 175.999 174.900 0.031 0.000 1.062 396 G CA 0.488 45.604 45.100 0.027 0.000 0.629 396 G HN 0.533 nan 8.290 nan 0.000 0.514 397 E N -0.804 119.426 120.200 0.050 0.000 2.453 397 E HA 0.399 4.749 4.350 -0.001 0.000 0.211 397 E C 0.323 176.945 176.600 0.037 0.000 0.897 397 E CA 0.107 56.532 56.400 0.043 0.000 1.063 397 E CB 0.564 30.297 29.700 0.055 0.000 1.080 397 E HN 0.382 nan 8.360 nan 0.000 0.512 398 I N 0.473 121.079 120.570 0.060 0.000 2.499 398 I HA 0.602 4.771 4.170 -0.001 0.000 0.288 398 I C 0.286 176.439 176.117 0.060 0.000 1.048 398 I CA -0.456 60.876 61.300 0.053 0.000 1.062 398 I CB 1.144 39.180 38.000 0.060 0.000 1.238 398 I HN 0.097 nan 8.210 nan 0.000 0.426 399 G N 5.997 114.825 108.800 0.048 0.000 2.570 399 G HA2 0.622 4.581 3.960 -0.001 0.000 0.310 399 G HA3 0.622 4.581 3.960 -0.001 0.000 0.310 399 G C -1.703 173.216 174.900 0.030 0.000 1.266 399 G CA -0.623 44.499 45.100 0.037 0.000 0.825 399 G HN 0.434 nan 8.290 nan 0.000 0.483 400 K N -0.576 119.810 120.400 -0.022 0.000 2.328 400 K HA 0.843 5.163 4.320 -0.001 0.000 0.246 400 K C -0.319 176.249 176.600 -0.054 0.000 0.955 400 K CA -0.775 55.490 56.287 -0.037 0.000 0.817 400 K CB 2.328 34.748 32.500 -0.133 0.000 1.208 400 K HN 1.108 nan 8.250 nan 0.000 0.432 401 I N -3.371 117.179 120.570 -0.034 0.000 3.102 401 I HA 0.611 4.780 4.170 -0.001 0.000 0.310 401 I C -2.898 173.190 176.117 -0.049 0.000 1.246 401 I CA -2.879 58.398 61.300 -0.039 0.000 0.979 401 I CB 2.790 40.781 38.000 -0.016 0.000 1.267 401 I HN 0.298 nan 8.210 nan 0.000 0.451 402 P HA 0.158 nan 4.420 nan 0.000 0.271 402 P C -0.665 176.575 177.300 -0.100 0.000 1.216 402 P CA -0.203 62.852 63.100 -0.076 0.000 0.771 402 P CB 0.543 32.208 31.700 -0.060 0.000 0.864 403 L N 4.870 125.995 121.223 -0.163 0.000 2.530 403 L HA 0.055 4.394 4.340 -0.001 0.000 0.273 403 L C 0.071 176.823 176.870 -0.197 0.000 1.141 403 L CA 0.900 55.573 54.840 -0.279 0.000 0.905 403 L CB -0.747 41.085 42.059 -0.378 0.000 1.202 403 L HN 0.259 nan 8.230 nan 0.000 0.473 404 K N 6.009 126.322 120.400 -0.146 0.000 2.724 404 K HA 0.284 4.604 4.320 -0.001 0.000 0.198 404 K C -0.772 175.802 176.600 -0.044 0.000 1.099 404 K CA -0.853 55.389 56.287 -0.074 0.000 1.025 404 K CB 0.330 32.814 32.500 -0.026 0.000 1.509 404 K HN 0.409 nan 8.250 nan 0.000 0.564 405 L N 2.740 123.913 121.223 -0.083 0.000 2.593 405 L HA -0.153 4.186 4.340 -0.001 0.000 0.287 405 L C 1.318 178.188 176.870 -0.001 0.000 1.243 405 L CA 0.961 55.788 54.840 -0.020 0.000 0.890 405 L CB -0.176 41.851 42.059 -0.053 0.000 1.134 405 L HN 0.566 nan 8.230 nan 0.000 0.502 406 D N 1.375 121.810 120.400 0.059 0.000 2.406 406 D HA 0.062 4.701 4.640 -0.001 0.000 0.288 406 D C 0.901 177.240 176.300 0.065 0.000 1.186 406 D CA 0.041 54.108 54.000 0.111 0.000 1.098 406 D CB 0.059 40.993 40.800 0.223 0.000 1.160 406 D HN 0.502 nan 8.370 nan 0.000 0.561 407 H N -0.825 118.234 119.070 -0.018 0.000 2.281 407 H HA 0.078 4.634 4.556 -0.001 0.000 0.310 407 H C 1.999 177.311 175.328 -0.028 0.000 1.052 407 H CA 1.155 57.185 56.048 -0.029 0.000 1.331 407 H CB -1.011 28.736 29.762 -0.026 0.000 1.419 407 H HN 0.129 nan 8.280 nan 0.000 0.518 408 L N 0.450 121.758 121.223 0.142 0.000 2.081 408 L HA -0.181 4.159 4.340 -0.001 0.000 0.212 408 L C 2.493 179.385 176.870 0.038 0.000 1.080 408 L CA 1.597 56.472 54.840 0.059 0.000 0.754 408 L CB -0.818 41.259 42.059 0.030 0.000 0.893 408 L HN 0.105 nan 8.230 nan 0.000 0.433 409 R N 0.358 120.887 120.500 0.047 0.000 2.096 409 R HA -0.176 4.164 4.340 -0.001 0.000 0.240 409 R C 2.173 178.482 176.300 0.015 0.000 1.139 409 R CA 1.695 57.818 56.100 0.037 0.000 0.952 409 R CB -0.619 29.718 30.300 0.062 0.000 0.854 409 R HN 0.211 nan 8.270 nan 0.000 0.436 410 I N 1.209 121.778 120.570 -0.002 0.000 2.099 410 I HA -0.266 3.904 4.170 -0.001 0.000 0.239 410 I C 1.930 178.035 176.117 -0.020 0.000 1.066 410 I CA 1.829 63.113 61.300 -0.027 0.000 1.324 410 I CB -1.095 36.867 38.000 -0.064 0.000 1.037 410 I HN 0.385 nan 8.210 nan 0.000 0.401 411 E N 0.008 120.199 120.200 -0.015 0.000 2.267 411 E HA -0.264 4.085 4.350 -0.001 0.000 0.197 411 E C 1.958 178.556 176.600 -0.003 0.000 0.998 411 E CA 1.053 57.447 56.400 -0.010 0.000 0.830 411 E CB -0.071 29.626 29.700 -0.005 0.000 0.751 411 E HN 0.577 nan 8.360 nan 0.000 0.491 412 E N 1.068 121.268 120.200 0.001 0.000 2.060 412 E HA -0.108 4.241 4.350 -0.001 0.000 0.189 412 E C 1.789 178.391 176.600 0.003 0.000 0.974 412 E CA 0.392 56.794 56.400 0.004 0.000 0.808 412 E CB 0.058 29.762 29.700 0.008 0.000 0.768 412 E HN 0.200 nan 8.360 nan 0.000 0.453 413 L N 0.853 122.076 121.223 0.000 0.000 2.675 413 L HA 0.020 4.360 4.340 -0.001 0.000 0.238 413 L C 2.336 179.204 176.870 -0.003 0.000 1.155 413 L CA 0.175 55.013 54.840 -0.003 0.000 0.881 413 L CB -0.449 41.601 42.059 -0.015 0.000 1.008 413 L HN 0.075 nan 8.230 nan 0.000 0.443 414 K N 1.418 121.817 120.400 -0.002 0.000 2.107 414 K HA -0.083 4.237 4.320 -0.001 0.000 0.211 414 K C 1.814 178.417 176.600 0.006 0.000 1.024 414 K CA 1.122 57.409 56.287 -0.000 0.000 0.953 414 K CB -0.107 32.390 32.500 -0.005 0.000 0.831 414 K HN 0.213 nan 8.250 nan 0.000 0.454 415 E N 0.722 120.925 120.200 0.005 0.000 2.515 415 E HA -0.165 4.184 4.350 -0.001 0.000 0.201 415 E C 0.727 177.333 176.600 0.009 0.000 1.071 415 E CA 0.805 57.209 56.400 0.007 0.000 0.880 415 E CB -0.278 29.425 29.700 0.005 0.000 0.828 415 E HN 0.158 nan 8.360 nan 0.000 0.540 416 N N 0.680 119.386 118.700 0.010 0.000 2.203 416 N HA 0.042 4.781 4.740 -0.001 0.000 0.207 416 N C 0.328 175.849 175.510 0.019 0.000 1.130 416 N CA 0.708 53.767 53.050 0.014 0.000 0.861 416 N CB 0.404 38.899 38.487 0.013 0.000 1.005 416 N HN 0.297 nan 8.380 nan 0.000 0.507 417 G N 2.130 110.941 108.800 0.017 0.000 2.386 417 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.295 417 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.295 417 G C 0.719 175.637 174.900 0.029 0.000 0.979 417 G CA 0.174 45.287 45.100 0.023 0.000 1.193 417 G HN 0.334 nan 8.290 nan 0.000 0.508 418 I N -0.398 120.184 120.570 0.021 0.000 3.718 418 I HA 0.302 4.471 4.170 -0.001 0.000 0.297 418 I C 1.535 177.653 176.117 0.002 0.000 1.220 418 I CA 0.955 62.269 61.300 0.023 0.000 1.381 418 I CB -0.176 37.828 38.000 0.007 0.000 1.238 418 I HN 0.563 nan 8.210 nan 0.000 0.448 419 I N -1.214 119.350 120.570 -0.010 0.000 2.865 419 I HA 0.508 4.677 4.170 -0.001 0.000 0.302 419 I C -1.233 174.889 176.117 0.008 0.000 1.140 419 I CA -0.852 60.438 61.300 -0.018 0.000 1.021 419 I CB 3.287 41.258 38.000 -0.049 0.000 1.233 419 I HN -0.241 nan 8.210 nan 0.000 0.427 420 L N 4.106 125.344 121.223 0.026 0.000 2.372 420 L HA 0.498 4.838 4.340 -0.001 0.000 0.273 420 L C -0.889 176.010 176.870 0.048 0.000 0.989 420 L CA -0.428 54.434 54.840 0.037 0.000 0.841 420 L CB 1.513 43.602 42.059 0.049 0.000 1.225 420 L HN 0.861 nan 8.230 nan 0.000 0.414 421 K N 3.681 124.102 120.400 0.033 0.000 2.285 421 K HA 0.580 4.899 4.320 -0.001 0.000 0.286 421 K C 0.012 176.650 176.600 0.064 0.000 1.072 421 K CA 0.108 56.421 56.287 0.042 0.000 0.913 421 K CB 1.158 33.654 32.500 -0.006 0.000 1.067 421 K HN 0.892 nan 8.250 nan 0.000 0.479 422 G N 3.216 112.075 108.800 0.099 0.000 3.354 422 G HA2 0.116 4.075 3.960 -0.001 0.000 0.174 422 G HA3 0.116 4.075 3.960 -0.001 0.000 0.174 422 G C -1.036 173.939 174.900 0.125 0.000 1.140 422 G CA -0.655 44.506 45.100 0.101 0.000 0.897 422 G HN 0.606 nan 8.290 nan 0.000 0.685 423 K N 0.967 121.427 120.400 0.100 0.000 2.611 423 K HA 0.015 4.335 4.320 -0.001 0.000 0.280 423 K C 0.063 176.717 176.600 0.090 0.000 0.964 423 K CA 0.878 57.216 56.287 0.085 0.000 1.029 423 K CB 0.253 32.795 32.500 0.070 0.000 0.862 423 K HN 0.345 nan 8.250 nan 0.000 0.501 424 K N 1.848 122.272 120.400 0.041 0.000 2.450 424 K HA 0.377 4.697 4.320 -0.001 0.000 0.248 424 K C -0.708 175.862 176.600 -0.050 0.000 1.056 424 K CA -0.878 55.388 56.287 -0.034 0.000 0.974 424 K CB 1.095 33.511 32.500 -0.140 0.000 1.334 424 K HN 0.534 nan 8.250 nan 0.000 0.516 425 E N -0.113 120.023 120.200 -0.107 0.000 2.417 425 E HA 0.385 4.734 4.350 -0.001 0.000 0.280 425 E C -1.886 174.609 176.600 -0.175 0.000 1.112 425 E CA -0.554 55.784 56.400 -0.103 0.000 0.863 425 E CB 1.071 30.734 29.700 -0.063 0.000 1.346 425 E HN 0.312 nan 8.360 nan 0.000 0.443 426 I N 1.566 122.026 120.570 -0.183 0.000 2.569 426 I HA 0.587 4.757 4.170 -0.001 0.000 0.296 426 I C -0.978 174.968 176.117 -0.285 0.000 1.028 426 I CA -0.573 60.579 61.300 -0.245 0.000 1.082 426 I CB 1.726 39.620 38.000 -0.176 0.000 1.264 426 I HN 0.440 nan 8.210 nan 0.000 0.429 427 D N 4.325 124.485 120.400 -0.399 0.000 2.937 427 D HA 0.264 4.903 4.640 -0.001 0.000 0.215 427 D C -0.140 175.954 176.300 -0.343 0.000 1.274 427 D CA -0.094 53.684 54.000 -0.369 0.000 0.869 427 D CB 1.364 41.895 40.800 -0.448 0.000 1.675 427 D HN 0.494 nan 8.370 nan 0.000 0.538 428 N N 1.794 120.369 118.700 -0.209 0.000 2.661 428 N HA -0.236 4.504 4.740 -0.001 0.000 0.249 428 N C 0.946 176.363 175.510 -0.156 0.000 1.142 428 N CA 1.671 54.629 53.050 -0.153 0.000 0.727 428 N CB -0.866 37.543 38.487 -0.131 0.000 1.099 428 N HN 0.902 nan 8.380 nan 0.000 0.558 429 G N -1.271 107.422 108.800 -0.178 0.000 2.157 429 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.239 429 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.239 429 G C -0.092 174.697 174.900 -0.184 0.000 0.982 429 G CA 0.711 45.719 45.100 -0.153 0.000 0.650 429 G HN 0.508 nan 8.290 nan 0.000 0.527 430 K N 0.185 120.414 120.400 -0.284 0.000 2.259 430 K HA 0.549 4.869 4.320 -0.001 0.000 0.249 430 K C -0.044 176.285 176.600 -0.451 0.000 0.942 430 K CA -0.854 55.244 56.287 -0.316 0.000 0.816 430 K CB 1.850 34.166 32.500 -0.308 0.000 1.155 430 K HN 0.069 nan 8.250 nan 0.000 0.428 431 K N 1.809 122.037 120.400 -0.288 0.000 2.174 431 K HA 0.267 4.587 4.320 -0.001 0.000 0.275 431 K C -0.927 175.622 176.600 -0.084 0.000 1.015 431 K CA -0.201 55.922 56.287 -0.273 0.000 0.933 431 K CB 0.700 33.045 32.500 -0.258 0.000 1.025 431 K HN 0.518 nan 8.250 nan 0.000 0.463 432 Y N 2.186 122.316 120.300 -0.284 0.000 2.331 432 Y HA 0.180 4.730 4.550 -0.001 0.000 0.326 432 Y C -0.965 174.814 175.900 -0.200 0.000 1.020 432 Y CA -1.280 56.697 58.100 -0.204 0.000 1.136 432 Y CB 1.319 39.645 38.460 -0.223 0.000 1.157 432 Y HN 0.487 nan 8.280 nan 0.000 0.444 433 Y N 3.692 124.045 120.300 0.089 0.000 2.504 433 Y HA 0.082 4.632 4.550 -0.001 0.000 0.351 433 Y C 0.308 176.236 175.900 0.047 0.000 0.988 433 Y CA -0.700 57.430 58.100 0.050 0.000 1.239 433 Y CB 0.306 38.782 38.460 0.027 0.000 1.128 433 Y HN 0.401 nan 8.280 nan 0.000 0.525 434 L N 5.455 126.787 121.223 0.182 0.000 2.601 434 L HA -0.048 4.292 4.340 -0.001 0.000 0.277 434 L C -0.420 176.561 176.870 0.185 0.000 1.219 434 L CA 0.832 55.776 54.840 0.174 0.000 0.915 434 L CB -0.082 42.074 42.059 0.162 0.000 1.160 434 L HN 0.673 nan 8.230 nan 0.000 0.494 435 L N 5.155 126.501 121.223 0.205 0.000 2.283 435 L HA 0.242 4.582 4.340 -0.001 0.000 0.281 435 L C 0.239 177.230 176.870 0.202 0.000 1.033 435 L CA -0.600 54.340 54.840 0.166 0.000 0.848 435 L CB 1.450 43.588 42.059 0.132 0.000 1.226 435 L HN 0.612 nan 8.230 nan 0.000 0.429 436 E N 2.490 122.785 120.200 0.158 0.000 2.373 436 E HA 0.369 4.718 4.350 -0.001 0.000 0.263 436 E C -0.640 176.030 176.600 0.117 0.000 1.073 436 E CA 0.047 56.547 56.400 0.166 0.000 0.894 436 E CB 1.281 31.061 29.700 0.133 0.000 1.008 436 E HN 0.370 nan 8.360 nan 0.000 0.420 437 S N 3.000 118.792 115.700 0.153 0.000 2.605 437 S HA 0.178 4.648 4.470 -0.001 0.000 0.279 437 S C -0.166 174.536 174.600 0.171 0.000 1.166 437 S CA -0.624 57.648 58.200 0.119 0.000 0.975 437 S CB 0.329 63.541 63.200 0.020 0.000 1.111 437 S HN 0.720 nan 8.310 nan 0.000 0.465 438 N N 3.548 122.324 118.700 0.127 0.000 2.735 438 N HA -0.113 4.627 4.740 -0.001 0.000 0.200 438 N C 0.665 176.235 175.510 0.101 0.000 1.383 438 N CA 0.046 53.157 53.050 0.103 0.000 0.939 438 N CB -0.147 38.378 38.487 0.064 0.000 1.074 438 N HN 0.637 nan 8.380 nan 0.000 0.449 439 N N 1.266 120.070 118.700 0.175 0.000 2.371 439 N HA -0.131 4.609 4.740 -0.001 0.000 0.243 439 N C 0.201 175.787 175.510 0.127 0.000 1.287 439 N CA 0.494 53.629 53.050 0.141 0.000 0.911 439 N CB 0.744 39.477 38.487 0.411 0.000 1.142 439 N HN 0.360 nan 8.380 nan 0.000 0.451 440 Q N 0.388 120.230 119.800 0.071 0.000 2.141 440 Q HA 0.338 4.677 4.340 -0.001 0.000 0.248 440 Q C -0.482 175.549 176.000 0.051 0.000 0.834 440 Q CA -0.395 55.444 55.803 0.060 0.000 1.096 440 Q CB 0.390 29.140 28.738 0.019 0.000 1.189 440 Q HN 0.329 nan 8.270 nan 0.000 0.471 441 V N -1.256 118.702 119.914 0.072 0.000 3.213 441 V HA 0.228 4.347 4.120 -0.001 0.000 0.260 441 V C -0.374 175.895 176.094 0.292 0.000 1.663 441 V CA -0.039 62.300 62.300 0.065 0.000 1.026 441 V CB 0.430 32.210 31.823 -0.072 0.000 0.874 441 V HN 0.363 nan 8.190 nan 0.000 0.410 442 Y N 0.828 121.200 120.300 0.119 0.000 2.409 442 Y HA 0.661 5.211 4.550 -0.001 0.000 0.343 442 Y C 0.055 175.925 175.900 -0.050 0.000 0.973 442 Y CA -0.890 57.176 58.100 -0.056 0.000 1.064 442 Y CB 2.121 40.623 38.460 0.070 0.000 1.207 442 Y HN 0.135 nan 8.280 nan 0.000 0.452 443 E N 2.561 122.626 120.200 -0.225 0.000 2.221 443 E HA 0.528 4.877 4.350 -0.001 0.000 0.268 443 E C -1.674 174.759 176.600 -0.279 0.000 0.933 443 E CA -0.789 55.602 56.400 -0.015 0.000 0.809 443 E CB 2.123 31.812 29.700 -0.018 0.000 1.190 443 E HN 0.327 nan 8.360 nan 0.000 0.406 444 F N 0.778 120.873 119.950 0.242 0.000 2.576 444 F HA 0.526 5.053 4.527 -0.001 0.000 0.313 444 F C -0.142 175.885 175.800 0.378 0.000 1.078 444 F CA -1.025 57.159 58.000 0.307 0.000 0.921 444 F CB 1.720 40.818 39.000 0.162 0.000 1.232 444 F HN 0.342 nan 8.300 nan 0.000 0.459 445 R N 2.286 123.102 120.500 0.527 0.000 2.604 445 R HA 0.776 5.116 4.340 -0.001 0.000 0.270 445 R C -2.250 174.036 176.300 -0.024 0.000 1.052 445 R CA -0.749 55.457 56.100 0.177 0.000 0.902 445 R CB 2.447 32.687 30.300 -0.100 0.000 1.233 445 R HN 0.844 nan 8.270 nan 0.000 0.455 446 I N 2.110 122.650 120.570 -0.050 0.000 2.441 446 I HA 0.306 4.476 4.170 -0.001 0.000 0.295 446 I C 0.096 176.147 176.117 -0.109 0.000 0.994 446 I CA -0.541 60.704 61.300 -0.092 0.000 1.144 446 I CB 2.252 40.244 38.000 -0.014 0.000 1.314 446 I HN 0.949 nan 8.210 nan 0.000 0.445 447 S N 4.388 119.993 115.700 -0.159 0.000 2.598 447 S HA 0.001 4.471 4.470 -0.001 0.000 0.256 447 S C 0.550 175.267 174.600 0.195 0.000 1.350 447 S CA 0.269 58.502 58.200 0.054 0.000 0.984 447 S CB 0.913 64.160 63.200 0.078 0.000 0.930 447 S HN 0.864 nan 8.310 nan 0.000 0.577 448 D N -0.390 120.148 120.400 0.230 0.000 2.716 448 D HA 0.055 4.695 4.640 -0.001 0.000 0.273 448 D C 1.738 178.106 176.300 0.113 0.000 1.024 448 D CA 0.484 54.612 54.000 0.213 0.000 0.944 448 D CB -0.309 40.585 40.800 0.156 0.000 1.186 448 D HN 0.760 nan 8.370 nan 0.000 0.485 449 E N 0.412 120.665 120.200 0.087 0.000 2.035 449 E HA -0.164 4.186 4.350 -0.001 0.000 0.204 449 E C 0.234 176.858 176.600 0.040 0.000 1.025 449 E CA 1.119 57.550 56.400 0.051 0.000 0.835 449 E CB 0.033 29.759 29.700 0.044 0.000 0.764 449 E HN 0.303 nan 8.360 nan 0.000 0.457 450 N N -0.312 118.412 118.700 0.040 0.000 2.292 450 N HA 0.098 4.838 4.740 -0.001 0.000 0.303 450 N C -0.854 174.660 175.510 0.008 0.000 1.140 450 N CA -0.518 52.543 53.050 0.018 0.000 0.788 450 N CB 0.814 39.310 38.487 0.015 0.000 1.361 450 N HN -0.063 nan 8.380 nan 0.000 0.489 451 N N -0.130 118.557 118.700 -0.020 0.000 2.413 451 N HA 0.008 4.748 4.740 -0.001 0.000 0.207 451 N C -0.431 175.049 175.510 -0.050 0.000 1.206 451 N CA -0.043 52.983 53.050 -0.040 0.000 0.832 451 N CB 0.026 38.467 38.487 -0.078 0.000 1.037 451 N HN 0.550 nan 8.380 nan 0.000 0.467 452 E N -0.023 120.151 120.200 -0.044 0.000 2.485 452 E HA -0.006 4.344 4.350 -0.001 0.000 0.266 452 E C -0.381 176.166 176.600 -0.089 0.000 1.137 452 E CA 0.488 56.849 56.400 -0.065 0.000 1.010 452 E CB 0.743 30.415 29.700 -0.048 0.000 0.986 452 E HN -0.084 nan 8.360 nan 0.000 0.460 453 V N 1.551 121.414 119.914 -0.085 0.000 2.789 453 V HA 0.275 4.395 4.120 -0.001 0.000 0.311 453 V C -0.377 175.719 176.094 0.005 0.000 1.073 453 V CA -0.742 61.527 62.300 -0.052 0.000 0.921 453 V CB 1.900 33.688 31.823 -0.058 0.000 1.009 453 V HN 0.616 nan 8.190 nan 0.000 0.426 454 Q N 2.635 122.501 119.800 0.110 0.000 2.528 454 Q HA 0.768 5.108 4.340 -0.001 0.000 0.289 454 Q C -1.645 174.587 176.000 0.388 0.000 1.091 454 Q CA -0.854 55.103 55.803 0.258 0.000 0.797 454 Q CB 3.318 32.242 28.738 0.311 0.000 1.466 454 Q HN 0.867 nan 8.270 nan 0.000 0.436 455 Y N -1.841 118.395 120.300 -0.106 0.000 2.689 455 Y HA 0.742 5.291 4.550 -0.001 0.000 0.333 455 Y C -1.781 173.718 175.900 -0.668 0.000 1.208 455 Y CA -1.288 56.434 58.100 -0.629 0.000 1.055 455 Y CB 1.671 39.552 38.460 -0.966 0.000 1.304 455 Y HN 0.695 nan 8.280 nan 0.000 0.455 456 K N -0.669 119.087 120.400 -1.074 0.000 2.578 456 K HA 0.518 4.838 4.320 -0.001 0.000 0.287 456 K C -1.624 174.534 176.600 -0.737 0.000 1.010 456 K CA -0.795 54.997 56.287 -0.825 0.000 0.889 456 K CB 1.876 33.745 32.500 -1.052 0.000 1.514 456 K HN 0.772 nan 8.250 nan 0.000 0.424 457 T N -0.362 113.794 114.554 -0.663 0.000 2.749 457 T HA 0.270 4.620 4.350 -0.001 0.000 0.295 457 T C -0.116 174.421 174.700 -0.273 0.000 0.936 457 T CA -0.828 60.992 62.100 -0.467 0.000 1.060 457 T CB 0.463 68.992 68.868 -0.565 0.000 0.904 457 T HN 0.494 nan 8.240 nan 0.000 0.500 458 K N 2.811 123.126 120.400 -0.142 0.000 2.591 458 K HA -0.071 4.249 4.320 -0.001 0.000 0.280 458 K C 1.203 177.756 176.600 -0.079 0.000 0.964 458 K CA 0.264 56.500 56.287 -0.086 0.000 1.014 458 K CB 0.405 32.898 32.500 -0.012 0.000 0.877 458 K HN 0.720 nan 8.250 nan 0.000 0.502 459 E N 0.583 120.753 120.200 -0.050 0.000 2.463 459 E HA -0.122 4.228 4.350 -0.001 0.000 0.201 459 E C 0.997 177.581 176.600 -0.026 0.000 1.045 459 E CA 0.682 57.060 56.400 -0.035 0.000 0.872 459 E CB 0.072 29.768 29.700 -0.007 0.000 0.797 459 E HN 0.744 nan 8.360 nan 0.000 0.538 460 G N 0.318 109.104 108.800 -0.022 0.000 4.250 460 G HA2 0.197 4.157 3.960 -0.001 0.000 0.295 460 G HA3 0.197 4.157 3.960 -0.001 0.000 0.295 460 G C -0.037 174.851 174.900 -0.020 0.000 1.081 460 G CA -0.290 44.801 45.100 -0.016 0.000 0.854 460 G HN -0.123 nan 8.290 nan 0.000 0.524 461 K N -0.294 120.086 120.400 -0.033 0.000 2.308 461 K HA 0.795 5.115 4.320 -0.001 0.000 0.268 461 K C -1.704 174.864 176.600 -0.053 0.000 0.992 461 K CA -0.694 55.573 56.287 -0.033 0.000 0.836 461 K CB 1.634 34.126 32.500 -0.014 0.000 1.507 461 K HN 0.002 nan 8.250 nan 0.000 0.394 462 I N -0.674 119.869 120.570 -0.044 0.000 3.149 462 I HA 0.378 4.548 4.170 -0.001 0.000 0.310 462 I C -1.177 174.929 176.117 -0.017 0.000 1.343 462 I CA -0.577 60.686 61.300 -0.062 0.000 0.955 462 I CB 2.412 40.378 38.000 -0.056 0.000 1.309 462 I HN 0.537 nan 8.210 nan 0.000 0.478 463 T N 3.429 117.969 114.554 -0.025 0.000 2.869 463 T HA 0.174 4.524 4.350 -0.001 0.000 0.295 463 T C 1.350 176.066 174.700 0.028 0.000 0.987 463 T CA -0.155 61.985 62.100 0.067 0.000 1.109 463 T CB 1.425 70.318 68.868 0.042 0.000 0.932 463 T HN 0.506 nan 8.240 nan 0.000 0.518 464 V N 2.729 122.661 119.914 0.030 0.000 2.380 464 V HA -0.134 3.986 4.120 -0.001 0.000 0.251 464 V C 2.027 178.126 176.094 0.009 0.000 1.063 464 V CA 1.579 63.876 62.300 -0.006 0.000 1.055 464 V CB -0.995 30.809 31.823 -0.032 0.000 0.657 464 V HN 0.681 nan 8.190 nan 0.000 0.455 465 L N 1.669 122.914 121.223 0.036 0.000 2.362 465 L HA 0.327 4.666 4.340 -0.001 0.000 0.219 465 L C 1.977 178.859 176.870 0.020 0.000 1.134 465 L CA 1.708 56.569 54.840 0.034 0.000 0.807 465 L CB -0.998 41.097 42.059 0.059 0.000 0.927 465 L HN 0.775 nan 8.230 nan 0.000 0.447 466 G N -1.030 107.776 108.800 0.009 0.000 2.135 466 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.183 466 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.183 466 G C 0.094 174.984 174.900 -0.017 0.000 1.004 466 G CA -0.387 44.709 45.100 -0.007 0.000 0.677 466 G HN 0.347 nan 8.290 nan 0.000 0.512 467 E N -0.126 120.057 120.200 -0.029 0.000 2.222 467 E HA 0.659 5.008 4.350 -0.001 0.000 0.272 467 E C -0.116 176.361 176.600 -0.205 0.000 0.982 467 E CA -0.723 55.641 56.400 -0.061 0.000 0.842 467 E CB 1.690 31.393 29.700 0.005 0.000 1.144 467 E HN 0.191 nan 8.360 nan 0.000 0.397 468 K N 2.925 123.187 120.400 -0.230 0.000 2.615 468 K HA 0.323 4.642 4.320 -0.001 0.000 0.249 468 K C -1.819 174.634 176.600 -0.246 0.000 0.977 468 K CA -0.468 55.615 56.287 -0.340 0.000 0.833 468 K CB 0.642 33.038 32.500 -0.174 0.000 1.208 468 K HN 0.415 nan 8.250 nan 0.000 0.443 469 F N 0.089 119.917 119.950 -0.203 0.000 2.685 469 F HA 0.571 5.097 4.527 -0.001 0.000 0.315 469 F C -0.923 174.695 175.800 -0.303 0.000 1.126 469 F CA -1.339 56.528 58.000 -0.223 0.000 0.950 469 F CB 0.571 39.433 39.000 -0.230 0.000 1.360 469 F HN 0.233 nan 8.300 nan 0.000 0.469 470 N N -0.753 118.026 118.700 0.131 0.000 2.477 470 N HA 0.161 4.901 4.740 -0.001 0.000 0.284 470 N C -1.231 174.238 175.510 -0.070 0.000 1.182 470 N CA -0.388 52.652 53.050 -0.017 0.000 0.949 470 N CB 0.701 39.230 38.487 0.071 0.000 1.204 470 N HN 0.747 nan 8.380 nan 0.000 0.526 471 W N 1.404 122.681 121.300 -0.038 0.000 2.525 471 W HA -0.166 4.494 4.660 -0.000 0.000 0.347 471 W C 0.881 177.327 176.519 -0.121 0.000 0.931 471 W CA 0.593 57.895 57.345 -0.071 0.000 0.997 471 W CB -0.379 29.080 29.460 -0.002 0.000 1.054 471 W HN 0.141 nan 8.180 nan 0.000 0.570 472 R N 2.371 122.869 120.500 -0.004 0.000 2.837 472 R HA 0.341 4.681 4.340 -0.001 0.000 0.271 472 R C -0.449 175.906 176.300 0.092 0.000 0.993 472 R CA -1.534 54.528 56.100 -0.064 0.000 0.931 472 R CB 1.385 31.464 30.300 -0.368 0.000 1.206 472 R HN 0.235 nan 8.270 nan 0.000 0.474 473 N N 0.656 119.377 118.700 0.036 0.000 2.503 473 N HA 0.224 4.964 4.740 -0.001 0.000 0.267 473 N C -0.464 175.037 175.510 -0.014 0.000 1.214 473 N CA -0.204 52.859 53.050 0.021 0.000 0.959 473 N CB 0.691 39.164 38.487 -0.025 0.000 1.142 473 N HN 0.368 nan 8.380 nan 0.000 0.455 474 I N 1.455 121.969 120.570 -0.093 0.000 2.322 474 I HA 0.040 4.210 4.170 -0.001 0.000 0.292 474 I C 0.187 176.211 176.117 -0.156 0.000 1.060 474 I CA -0.102 61.061 61.300 -0.228 0.000 1.309 474 I CB 0.146 37.975 38.000 -0.285 0.000 1.415 474 I HN 0.388 nan 8.210 nan 0.000 0.492 475 E N 5.623 125.765 120.200 -0.098 0.000 2.277 475 E HA 0.468 4.817 4.350 -0.001 0.000 0.274 475 E C -0.717 175.886 176.600 0.005 0.000 1.022 475 E CA -0.589 55.778 56.400 -0.055 0.000 0.853 475 E CB 2.096 31.755 29.700 -0.069 0.000 1.086 475 E HN 0.423 nan 8.360 nan 0.000 0.397 476 V N -0.854 119.068 119.914 0.013 0.000 3.001 476 V HA 0.513 4.632 4.120 -0.001 0.000 0.314 476 V C -0.245 175.919 176.094 0.117 0.000 1.099 476 V CA -1.310 61.037 62.300 0.079 0.000 0.989 476 V CB 1.794 33.668 31.823 0.085 0.000 1.040 476 V HN 0.544 nan 8.190 nan 0.000 0.434 477 M N 2.406 122.090 119.600 0.140 0.000 2.238 477 M HA 0.711 5.191 4.480 -0.001 0.000 0.347 477 M C 0.070 176.420 176.300 0.083 0.000 1.173 477 M CA 0.282 55.653 55.300 0.118 0.000 1.147 477 M CB 0.715 33.377 32.600 0.103 0.000 1.547 477 M HN 1.186 nan 8.290 nan 0.000 0.455 478 A N 3.319 126.173 122.820 0.057 0.000 2.488 478 A HA 0.656 4.975 4.320 -0.001 0.000 0.298 478 A C -0.769 176.826 177.584 0.018 0.000 1.044 478 A CA -1.014 51.044 52.037 0.036 0.000 0.693 478 A CB 1.516 20.537 19.000 0.035 0.000 1.272 478 A HN 0.809 nan 8.150 nan 0.000 0.402 479 K N 1.477 121.880 120.400 0.004 0.000 2.098 479 K HA 0.453 4.772 4.320 -0.001 0.000 0.258 479 K C 0.029 176.628 176.600 -0.002 0.000 0.973 479 K CA -0.698 55.586 56.287 -0.005 0.000 0.898 479 K CB 1.247 33.733 32.500 -0.022 0.000 1.057 479 K HN 0.701 nan 8.250 nan 0.000 0.447 480 N N 1.093 119.794 118.700 0.001 0.000 2.492 480 N HA 0.094 4.834 4.740 -0.001 0.000 0.260 480 N C -1.177 174.331 175.510 -0.004 0.000 1.215 480 N CA -0.502 52.549 53.050 0.002 0.000 0.923 480 N CB 0.565 39.057 38.487 0.008 0.000 1.092 480 N HN 0.355 nan 8.380 nan 0.000 0.448 481 V N 2.607 122.517 119.914 -0.006 0.000 2.675 481 V HA 0.174 4.294 4.120 -0.001 0.000 0.266 481 V C -0.831 175.257 176.094 -0.011 0.000 0.974 481 V CA -0.698 61.596 62.300 -0.009 0.000 0.890 481 V CB 1.029 32.840 31.823 -0.019 0.000 1.055 481 V HN 0.824 nan 8.190 nan 0.000 0.477 482 E N 2.081 122.279 120.200 -0.005 0.000 2.442 482 E HA -0.197 4.153 4.350 -0.001 0.000 0.256 482 E C 1.058 177.655 176.600 -0.005 0.000 1.095 482 E CA 1.142 57.539 56.400 -0.004 0.000 0.747 482 E CB -1.381 28.314 29.700 -0.008 0.000 1.310 482 E HN 1.958 nan 8.360 nan 0.000 0.396 483 G N -0.809 107.989 108.800 -0.002 0.000 2.350 483 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.298 483 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.298 483 G C 0.101 174.998 174.900 -0.005 0.000 1.037 483 G CA 0.345 45.443 45.100 -0.002 0.000 1.074 483 G HN 0.808 nan 8.290 nan 0.000 0.511 484 V N -0.596 119.314 119.914 -0.007 0.000 2.719 484 V HA 0.320 4.440 4.120 -0.001 0.000 0.289 484 V C 0.087 176.176 176.094 -0.008 0.000 1.167 484 V CA -1.212 61.083 62.300 -0.009 0.000 0.929 484 V CB 1.554 33.368 31.823 -0.015 0.000 1.050 484 V HN 0.252 nan 8.190 nan 0.000 0.448 485 L N 4.588 125.808 121.223 -0.005 0.000 2.574 485 L HA 0.219 4.558 4.340 -0.001 0.000 0.281 485 L C 0.782 177.653 176.870 0.002 0.000 1.212 485 L CA 0.901 55.741 54.840 -0.001 0.000 1.082 485 L CB -0.637 41.422 42.059 -0.001 0.000 1.362 485 L HN 0.543 nan 8.230 nan 0.000 0.451 486 K N 5.447 125.846 120.400 -0.001 0.000 2.249 486 K HA 0.319 4.639 4.320 -0.001 0.000 0.280 486 K C -2.112 174.501 176.600 0.023 0.000 1.033 486 K CA -1.629 54.659 56.287 0.001 0.000 0.946 486 K CB 0.662 33.148 32.500 -0.024 0.000 1.005 486 K HN 0.236 nan 8.250 nan 0.000 0.469 487 P HA 0.008 nan 4.420 nan 0.000 0.270 487 P C -0.759 176.572 177.300 0.052 0.000 1.223 487 P CA 0.107 63.276 63.100 0.114 0.000 0.785 487 P CB 0.734 32.595 31.700 0.268 0.000 0.923 488 L N 0.787 122.044 121.223 0.057 0.000 2.334 488 L HA 0.612 4.952 4.340 -0.001 0.000 0.273 488 L C 0.932 177.741 176.870 -0.102 0.000 1.013 488 L CA -0.346 54.480 54.840 -0.023 0.000 0.816 488 L CB 1.988 44.043 42.059 -0.006 0.000 1.278 488 L HN 0.445 nan 8.230 nan 0.000 0.431 489 T N 0.576 115.049 114.554 -0.137 0.000 2.778 489 T HA 0.669 5.019 4.350 -0.001 0.000 0.293 489 T C -0.563 174.079 174.700 -0.098 0.000 1.144 489 T CA -0.119 61.882 62.100 -0.165 0.000 1.010 489 T CB 1.642 70.352 68.868 -0.264 0.000 1.325 489 T HN 0.700 nan 8.240 nan 0.000 0.515 490 A N 1.951 124.728 122.820 -0.070 0.000 2.577 490 A HA 0.430 4.749 4.320 -0.001 0.000 0.233 490 A C 0.277 177.823 177.584 -0.063 0.000 1.076 490 A CA 0.423 52.442 52.037 -0.029 0.000 0.767 490 A CB -0.364 18.643 19.000 0.012 0.000 1.017 490 A HN 0.847 nan 8.150 nan 0.000 0.511 491 D N -1.080 119.303 120.400 -0.028 0.000 2.621 491 D HA 0.381 5.020 4.640 -0.001 0.000 0.255 491 D C -1.242 175.121 176.300 0.106 0.000 1.122 491 D CA -0.519 53.423 54.000 -0.097 0.000 1.096 491 D CB 0.213 40.943 40.800 -0.117 0.000 1.282 491 D HN 0.310 nan 8.370 nan 0.000 0.619 492 Y N 0.446 120.751 120.300 0.009 0.000 2.676 492 Y HA 0.235 4.785 4.550 -0.001 0.000 0.338 492 Y C -0.284 175.736 175.900 0.200 0.000 1.057 492 Y CA -1.028 57.162 58.100 0.150 0.000 1.314 492 Y CB -0.189 38.403 38.460 0.220 0.000 1.164 492 Y HN 0.068 nan 8.280 nan 0.000 0.509 493 D N 4.061 124.693 120.400 0.387 0.000 2.374 493 D HA 0.133 4.772 4.640 -0.001 0.000 0.240 493 D C 0.271 176.721 176.300 0.250 0.000 1.229 493 D CA 0.062 54.274 54.000 0.354 0.000 0.895 493 D CB 0.712 41.697 40.800 0.309 0.000 1.046 493 D HN 0.417 nan 8.370 nan 0.000 0.498 494 L N 2.317 123.597 121.223 0.095 0.000 2.499 494 L HA -0.038 4.302 4.340 -0.001 0.000 0.273 494 L C 1.451 178.314 176.870 -0.012 0.000 1.195 494 L CA -0.210 54.524 54.840 -0.176 0.000 0.882 494 L CB 0.399 42.303 42.059 -0.259 0.000 1.133 494 L HN 0.384 nan 8.230 nan 0.000 0.483 495 F N 3.398 123.277 119.950 -0.118 0.000 2.270 495 F HA 0.344 4.871 4.527 -0.001 0.000 0.295 495 F C 0.839 176.607 175.800 -0.054 0.000 1.087 495 F CA 0.604 58.597 58.000 -0.012 0.000 1.365 495 F CB 0.355 39.393 39.000 0.062 0.000 1.056 495 F HN 0.486 nan 8.300 nan 0.000 0.506 496 A N -0.070 122.827 122.820 0.128 0.000 2.567 496 A HA 0.575 4.895 4.320 -0.001 0.000 0.291 496 A C -1.996 175.613 177.584 0.041 0.000 1.048 496 A CA -0.680 51.365 52.037 0.013 0.000 0.661 496 A CB 0.497 19.637 19.000 0.235 0.000 1.288 496 A HN 0.108 nan 8.150 nan 0.000 0.424 497 L N 0.878 122.131 121.223 0.051 0.000 2.404 497 L HA 0.689 5.029 4.340 -0.001 0.000 0.272 497 L C 0.074 177.153 176.870 0.349 0.000 0.980 497 L CA -0.588 54.379 54.840 0.212 0.000 0.836 497 L CB 2.007 44.220 42.059 0.256 0.000 1.238 497 L HN 0.996 nan 8.230 nan 0.000 0.408 498 A N 5.790 128.796 122.820 0.310 0.000 2.508 498 A HA 0.665 4.985 4.320 -0.001 0.000 0.336 498 A C -2.527 175.225 177.584 0.280 0.000 1.360 498 A CA -1.400 50.803 52.037 0.276 0.000 0.841 498 A CB 0.128 19.263 19.000 0.224 0.000 1.136 498 A HN 0.298 nan 8.150 nan 0.000 0.489 499 P HA 0.205 nan 4.420 nan 0.000 0.276 499 P C 0.184 177.539 177.300 0.092 0.000 1.244 499 P CA -0.017 63.074 63.100 -0.014 0.000 0.801 499 P CB 1.221 32.620 31.700 -0.501 0.000 1.006 500 S N 1.108 116.804 115.700 -0.005 0.000 2.580 500 S HA 0.169 4.638 4.470 -0.001 0.000 0.274 500 S C 1.590 176.033 174.600 -0.262 0.000 1.329 500 S CA -0.708 57.276 58.200 -0.361 0.000 1.036 500 S CB 0.165 63.054 63.200 -0.518 0.000 0.919 500 S HN 0.391 nan 8.310 nan 0.000 0.515 501 L N 1.612 122.680 121.223 -0.259 0.000 2.081 501 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 501 L C 2.966 179.730 176.870 -0.176 0.000 1.080 501 L CA 1.863 56.602 54.840 -0.169 0.000 0.754 501 L CB -1.065 40.922 42.059 -0.120 0.000 0.893 501 L HN 1.054 nan 8.230 nan 0.000 0.433 502 T N -3.845 110.589 114.554 -0.200 0.000 2.833 502 T HA -0.228 4.121 4.350 -0.001 0.000 0.269 502 T C 1.604 176.202 174.700 -0.170 0.000 1.054 502 T CA 1.279 63.272 62.100 -0.178 0.000 1.135 502 T CB -0.174 68.595 68.868 -0.166 0.000 0.869 502 T HN 0.205 nan 8.240 nan 0.000 0.466 503 E N 1.371 121.470 120.200 -0.169 0.000 2.028 503 E HA -0.016 4.334 4.350 -0.001 0.000 0.191 503 E C 1.882 178.383 176.600 -0.164 0.000 0.988 503 E CA 0.800 57.113 56.400 -0.145 0.000 0.799 503 E CB -0.615 29.006 29.700 -0.133 0.000 0.755 503 E HN 0.490 nan 8.360 nan 0.000 0.447 504 I N 1.145 121.593 120.570 -0.203 0.000 2.248 504 I HA -0.267 3.903 4.170 -0.001 0.000 0.248 504 I C 2.177 178.209 176.117 -0.142 0.000 1.107 504 I CA 1.251 62.442 61.300 -0.182 0.000 1.373 504 I CB -0.545 37.347 38.000 -0.179 0.000 1.055 504 I HN 0.072 nan 8.210 nan 0.000 0.418 505 K N 1.713 122.006 120.400 -0.178 0.000 2.113 505 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 505 K C 1.517 177.962 176.600 -0.258 0.000 1.047 505 K CA 1.693 57.824 56.287 -0.260 0.000 0.928 505 K CB -0.245 32.061 32.500 -0.322 0.000 0.716 505 K HN 0.250 nan 8.250 nan 0.000 0.446 506 K N -0.153 120.132 120.400 -0.193 0.000 2.504 506 K HA 0.021 4.341 4.320 -0.001 0.000 0.199 506 K C 1.148 177.668 176.600 -0.134 0.000 1.028 506 K CA 0.191 56.383 56.287 -0.158 0.000 1.164 506 K CB 0.327 32.757 32.500 -0.117 0.000 0.877 506 K HN 0.138 nan 8.250 nan 0.000 0.508 507 Q N 0.445 120.156 119.800 -0.149 0.000 2.316 507 Q HA 0.223 4.562 4.340 -0.001 0.000 0.235 507 Q C -0.306 175.490 176.000 -0.340 0.000 0.863 507 Q CA 0.133 55.858 55.803 -0.129 0.000 0.939 507 Q CB 0.686 29.410 28.738 -0.023 0.000 1.108 507 Q HN 0.204 nan 8.270 nan 0.000 0.522 508 I N 3.325 123.666 120.570 -0.381 0.000 2.342 508 I HA 0.289 4.459 4.170 -0.001 0.000 0.291 508 I C -2.013 173.877 176.117 -0.379 0.000 1.010 508 I CA -2.350 58.576 61.300 -0.623 0.000 1.308 508 I CB 1.358 39.258 38.000 -0.167 0.000 1.400 508 I HN 0.031 nan 8.210 nan 0.000 0.488 509 P HA 0.009 nan 4.420 nan 0.000 0.267 509 P C 0.349 177.638 177.300 -0.018 0.000 1.328 509 P CA -0.144 62.866 63.100 -0.150 0.000 0.990 509 P CB 0.981 32.617 31.700 -0.106 0.000 1.168 510 Q N 3.598 123.393 119.800 -0.008 0.000 2.221 510 Q HA -0.275 4.065 4.340 -0.001 0.000 0.220 510 Q C 1.865 177.937 176.000 0.119 0.000 1.057 510 Q CA 2.881 58.721 55.803 0.062 0.000 0.949 510 Q CB -0.551 28.204 28.738 0.028 0.000 1.077 510 Q HN 0.666 nan 8.270 nan 0.000 0.436 511 K N 0.018 120.465 120.400 0.079 0.000 2.032 511 K HA -0.157 4.162 4.320 -0.001 0.000 0.209 511 K C 1.895 178.557 176.600 0.103 0.000 1.048 511 K CA 1.614 57.949 56.287 0.080 0.000 0.927 511 K CB -0.387 32.146 32.500 0.055 0.000 0.712 511 K HN 0.249 nan 8.250 nan 0.000 0.441 512 E N 0.606 120.880 120.200 0.124 0.000 2.005 512 E HA -0.230 4.120 4.350 -0.001 0.000 0.198 512 E C 1.882 178.584 176.600 0.169 0.000 1.010 512 E CA 1.681 58.172 56.400 0.153 0.000 0.825 512 E CB -0.421 29.417 29.700 0.231 0.000 0.769 512 E HN 0.457 nan 8.360 nan 0.000 0.456 513 W N 2.224 123.554 121.300 0.049 0.000 2.321 513 W HA -0.236 4.424 4.660 -0.001 0.000 0.285 513 W C 1.664 178.198 176.519 0.024 0.000 1.213 513 W CA 1.867 59.236 57.345 0.039 0.000 1.205 513 W CB -0.048 29.422 29.460 0.017 0.000 1.134 513 W HN 0.115 nan 8.180 nan 0.000 0.549 514 D N -0.532 119.981 120.400 0.188 0.000 2.106 514 D HA -0.187 4.453 4.640 -0.001 0.000 0.203 514 D C 2.076 178.364 176.300 -0.021 0.000 0.977 514 D CA 1.362 55.413 54.000 0.086 0.000 0.844 514 D CB -0.626 40.240 40.800 0.110 0.000 1.002 514 D HN -0.005 nan 8.370 nan 0.000 0.461 515 K N 1.017 121.419 120.400 0.003 0.000 2.362 515 K HA -0.116 4.203 4.320 -0.001 0.000 0.202 515 K C 1.604 178.162 176.600 -0.069 0.000 1.045 515 K CA 0.644 56.919 56.287 -0.020 0.000 0.936 515 K CB 0.068 32.571 32.500 0.005 0.000 0.747 515 K HN 0.036 nan 8.250 nan 0.000 0.467 516 V N 0.737 120.574 119.914 -0.129 0.000 2.374 516 V HA -0.171 3.949 4.120 -0.001 0.000 0.241 516 V C 2.393 178.323 176.094 -0.273 0.000 1.034 516 V CA 1.398 63.575 62.300 -0.205 0.000 1.037 516 V CB -0.116 31.534 31.823 -0.290 0.000 0.682 516 V HN 0.305 nan 8.190 nan 0.000 0.463 517 V N -0.761 118.908 119.914 -0.410 0.000 2.515 517 V HA -0.096 4.024 4.120 -0.001 0.000 0.250 517 V C 1.113 177.091 176.094 -0.194 0.000 1.058 517 V CA 1.703 63.768 62.300 -0.392 0.000 1.064 517 V CB -1.384 30.107 31.823 -0.553 0.000 0.675 517 V HN 0.651 nan 8.190 nan 0.000 0.461 518 N N 1.546 120.165 118.700 -0.134 0.000 3.254 518 N HA 0.214 4.954 4.740 -0.001 0.000 0.308 518 N C -0.065 175.406 175.510 -0.066 0.000 1.281 518 N CA 0.215 53.221 53.050 -0.073 0.000 1.212 518 N CB 0.125 38.588 38.487 -0.040 0.000 1.478 518 N HN 0.572 nan 8.380 nan 0.000 0.548 519 T N -0.243 114.265 114.554 -0.077 0.000 2.907 519 T HA 0.385 4.734 4.350 -0.001 0.000 0.292 519 T C -1.815 172.855 174.700 -0.051 0.000 1.043 519 T CA -1.775 60.286 62.100 -0.063 0.000 1.003 519 T CB 1.689 70.510 68.868 -0.077 0.000 1.084 519 T HN 0.092 nan 8.240 nan 0.000 0.483 520 P HA 0.210 nan 4.420 nan 0.000 0.257 520 P C -0.116 177.165 177.300 -0.031 0.000 1.241 520 P CA -0.113 62.969 63.100 -0.030 0.000 0.816 520 P CB 0.333 32.020 31.700 -0.022 0.000 1.150 521 N N 0.867 119.543 118.700 -0.039 0.000 2.558 521 N HA 0.115 4.855 4.740 -0.001 0.000 0.233 521 N C 0.859 176.342 175.510 -0.045 0.000 1.038 521 N CA 0.100 53.125 53.050 -0.041 0.000 0.934 521 N CB 0.898 39.359 38.487 -0.044 0.000 1.175 521 N HN -0.137 nan 8.380 nan 0.000 0.512 522 S N 2.419 118.097 115.700 -0.037 0.000 2.401 522 S HA -0.237 4.233 4.470 -0.001 0.000 0.236 522 S C 1.749 176.327 174.600 -0.037 0.000 1.058 522 S CA 1.322 59.502 58.200 -0.033 0.000 1.151 522 S CB -0.219 62.968 63.200 -0.022 0.000 1.049 522 S HN 0.597 nan 8.310 nan 0.000 0.432 523 L N 1.572 122.770 121.223 -0.042 0.000 2.201 523 L HA 0.043 4.382 4.340 -0.001 0.000 0.212 523 L C 2.160 179.003 176.870 -0.045 0.000 1.105 523 L CA 1.719 56.533 54.840 -0.042 0.000 0.775 523 L CB -0.549 41.477 42.059 -0.054 0.000 0.913 523 L HN 0.326 nan 8.230 nan 0.000 0.440 524 E N -0.714 119.455 120.200 -0.051 0.000 2.152 524 E HA -0.238 4.112 4.350 -0.001 0.000 0.192 524 E C 2.113 178.675 176.600 -0.063 0.000 0.983 524 E CA 0.625 56.993 56.400 -0.053 0.000 0.818 524 E CB 0.054 29.723 29.700 -0.052 0.000 0.758 524 E HN 0.470 nan 8.360 nan 0.000 0.467 525 K N 0.962 121.319 120.400 -0.072 0.000 2.001 525 K HA -0.304 4.015 4.320 -0.001 0.000 0.214 525 K C 2.298 178.843 176.600 -0.091 0.000 1.050 525 K CA 2.061 58.287 56.287 -0.102 0.000 0.934 525 K CB -0.244 32.194 32.500 -0.103 0.000 0.718 525 K HN 0.093 nan 8.250 nan 0.000 0.443 526 Q N 0.851 120.617 119.800 -0.057 0.000 2.082 526 Q HA -0.287 4.053 4.340 -0.001 0.000 0.211 526 Q C 2.079 178.064 176.000 -0.026 0.000 1.002 526 Q CA 2.330 58.115 55.803 -0.029 0.000 0.868 526 Q CB -0.095 28.636 28.738 -0.012 0.000 0.931 526 Q HN 0.265 nan 8.270 nan 0.000 0.414 527 K N -0.774 119.607 120.400 -0.031 0.000 1.991 527 K HA -0.159 4.160 4.320 -0.001 0.000 0.212 527 K C 2.114 178.694 176.600 -0.033 0.000 1.049 527 K CA 1.392 57.663 56.287 -0.026 0.000 0.932 527 K CB -0.665 31.817 32.500 -0.030 0.000 0.717 527 K HN 0.470 nan 8.250 nan 0.000 0.441 528 G N 0.652 109.418 108.800 -0.056 0.000 2.503 528 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.221 528 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.221 528 G C 1.485 176.348 174.900 -0.062 0.000 1.131 528 G CA 1.258 46.318 45.100 -0.068 0.000 0.756 528 G HN 0.191 nan 8.290 nan 0.000 0.572 529 V N 0.780 120.651 119.914 -0.071 0.000 2.229 529 V HA -0.182 3.938 4.120 -0.001 0.000 0.243 529 V C 3.116 179.252 176.094 0.070 0.000 1.042 529 V CA 2.419 64.713 62.300 -0.010 0.000 1.000 529 V CB -1.198 30.630 31.823 0.008 0.000 0.637 529 V HN 0.413 nan 8.190 nan 0.000 0.446 530 T N 0.696 115.277 114.554 0.045 0.000 2.649 530 T HA -0.261 4.089 4.350 -0.001 0.000 0.268 530 T C 1.808 176.531 174.700 0.039 0.000 1.036 530 T CA 1.987 64.116 62.100 0.048 0.000 1.157 530 T CB -0.478 68.407 68.868 0.029 0.000 0.861 530 T HN 0.425 nan 8.240 nan 0.000 0.445 531 N N 1.021 119.730 118.700 0.016 0.000 2.084 531 N HA 0.022 4.762 4.740 -0.001 0.000 0.190 531 N C 1.973 177.485 175.510 0.004 0.000 1.030 531 N CA 0.818 53.865 53.050 -0.005 0.000 0.849 531 N CB -0.589 37.885 38.487 -0.023 0.000 1.012 531 N HN 0.328 nan 8.380 nan 0.000 0.423 532 L N 1.128 122.383 121.223 0.055 0.000 1.990 532 L HA -0.177 4.163 4.340 -0.001 0.000 0.213 532 L C 2.476 179.447 176.870 0.169 0.000 1.072 532 L CA 1.021 55.946 54.840 0.143 0.000 0.755 532 L CB -0.454 41.775 42.059 0.283 0.000 0.889 532 L HN 0.200 nan 8.230 nan 0.000 0.432 533 L N -0.358 120.966 121.223 0.167 0.000 2.079 533 L HA -0.268 4.072 4.340 -0.001 0.000 0.210 533 L C 2.434 179.359 176.870 0.091 0.000 1.081 533 L CA 1.416 56.342 54.840 0.144 0.000 0.752 533 L CB -0.077 42.056 42.059 0.123 0.000 0.896 533 L HN 0.223 nan 8.230 nan 0.000 0.433 534 I N -0.170 120.428 120.570 0.047 0.000 2.163 534 I HA -0.324 3.846 4.170 -0.001 0.000 0.240 534 I C 2.637 178.742 176.117 -0.020 0.000 1.081 534 I CA 1.471 62.778 61.300 0.011 0.000 1.353 534 I CB -0.421 37.570 38.000 -0.016 0.000 1.054 534 I HN 0.265 nan 8.210 nan 0.000 0.407 535 K N 0.906 121.248 120.400 -0.095 0.000 1.978 535 K HA -0.226 4.094 4.320 -0.001 0.000 0.214 535 K C 1.968 178.445 176.600 -0.205 0.000 1.049 535 K CA 1.963 58.112 56.287 -0.231 0.000 0.939 535 K CB -0.295 31.929 32.500 -0.461 0.000 0.721 535 K HN 0.182 nan 8.250 nan 0.000 0.441 536 Y N -0.614 119.738 120.300 0.087 0.000 2.553 536 Y HA 0.121 4.670 4.550 -0.000 0.000 0.303 536 Y C 1.698 177.673 175.900 0.124 0.000 1.194 536 Y CA 0.649 58.812 58.100 0.104 0.000 1.305 536 Y CB 0.508 39.018 38.460 0.083 0.000 1.045 536 Y HN 0.365 nan 8.280 nan 0.000 0.514 537 G N -1.694 107.235 108.800 0.215 0.000 2.371 537 G HA2 0.062 4.022 3.960 -0.001 0.000 0.205 537 G HA3 0.062 4.022 3.960 -0.001 0.000 0.205 537 G C 1.162 176.226 174.900 0.272 0.000 1.486 537 G CA 0.035 45.251 45.100 0.195 0.000 0.553 537 G HN 0.243 nan 8.290 nan 0.000 1.124 538 I N 0.979 121.646 120.570 0.163 0.000 3.035 538 I HA 0.183 4.353 4.170 -0.001 0.000 0.271 538 I C 1.094 177.212 176.117 0.003 0.000 1.190 538 I CA 0.099 61.472 61.300 0.121 0.000 1.472 538 I CB 0.345 38.373 38.000 0.046 0.000 1.116 538 I HN 0.130 nan 8.210 nan 0.000 0.443 539 E N 2.840 123.042 120.200 0.004 0.000 2.413 539 E HA 0.097 4.447 4.350 -0.001 0.000 0.263 539 E C -0.384 176.174 176.600 -0.070 0.000 1.015 539 E CA 0.079 56.441 56.400 -0.064 0.000 0.916 539 E CB 0.598 30.264 29.700 -0.057 0.000 0.947 539 E HN 0.199 nan 8.360 nan 0.000 0.440 540 R N 3.210 123.624 120.500 -0.142 0.000 2.502 540 R HA 0.335 4.675 4.340 -0.001 0.000 0.300 540 R C -0.698 175.525 176.300 -0.127 0.000 0.984 540 R CA -0.911 55.099 56.100 -0.150 0.000 0.882 540 R CB 1.498 31.661 30.300 -0.230 0.000 1.180 540 R HN 0.323 nan 8.270 nan 0.000 0.444 541 K N 2.691 123.031 120.400 -0.099 0.000 2.211 541 K HA 0.528 4.847 4.320 -0.001 0.000 0.237 541 K C -2.363 174.191 176.600 -0.078 0.000 1.002 541 K CA -2.061 54.177 56.287 -0.081 0.000 0.885 541 K CB 1.266 33.730 32.500 -0.059 0.000 1.136 541 K HN 0.334 nan 8.250 nan 0.000 0.448 542 P HA 0.272 nan 4.420 nan 0.000 0.278 542 P C -0.991 176.286 177.300 -0.039 0.000 1.266 542 P CA -0.136 62.933 63.100 -0.052 0.000 0.807 542 P CB 0.928 32.601 31.700 -0.045 0.000 1.094 543 D N -1.375 119.009 120.400 -0.027 0.000 2.886 543 D HA 0.097 4.737 4.640 -0.001 0.000 0.216 543 D C 1.034 177.333 176.300 -0.003 0.000 1.256 543 D CA -0.302 53.688 54.000 -0.018 0.000 0.844 543 D CB 1.803 42.588 40.800 -0.025 0.000 1.669 543 D HN 0.237 nan 8.370 nan 0.000 0.513 544 S N 1.484 117.187 115.700 0.005 0.000 2.359 544 S HA -0.193 4.277 4.470 -0.001 0.000 0.224 544 S C 1.729 176.343 174.600 0.023 0.000 1.035 544 S CA 2.203 60.415 58.200 0.020 0.000 1.018 544 S CB -0.708 62.505 63.200 0.022 0.000 0.876 544 S HN 0.673 nan 8.310 nan 0.000 0.448 545 T N 1.176 115.736 114.554 0.011 0.000 2.837 545 T HA 0.151 4.500 4.350 -0.001 0.000 0.242 545 T C 1.390 176.090 174.700 -0.000 0.000 1.044 545 T CA 0.378 62.480 62.100 0.003 0.000 1.202 545 T CB -0.585 68.281 68.868 -0.004 0.000 0.905 545 T HN 0.349 nan 8.240 nan 0.000 0.413 546 K N 2.091 122.488 120.400 -0.006 0.000 2.591 546 K HA 0.410 4.730 4.320 -0.001 0.000 0.197 546 K C 1.292 177.911 176.600 0.031 0.000 1.026 546 K CA 0.142 56.431 56.287 0.002 0.000 1.127 546 K CB -0.490 31.994 32.500 -0.027 0.000 0.871 546 K HN 0.673 nan 8.250 nan 0.000 0.507 547 G N 0.921 109.735 108.800 0.023 0.000 2.525 547 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.248 547 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.248 547 G C -0.429 174.455 174.900 -0.026 0.000 1.238 547 G CA -0.376 44.730 45.100 0.010 0.000 0.926 547 G HN 0.204 nan 8.290 nan 0.000 0.574 548 T N 1.720 116.244 114.554 -0.050 0.000 2.749 548 T HA 0.656 5.006 4.350 -0.001 0.000 0.287 548 T C 0.335 174.976 174.700 -0.099 0.000 0.970 548 T CA 0.546 62.599 62.100 -0.078 0.000 0.980 548 T CB 0.737 69.549 68.868 -0.094 0.000 0.924 548 T HN 1.487 nan 8.240 nan 0.000 0.456 549 L N -0.309 120.844 121.223 -0.117 0.000 2.933 549 L HA 0.849 5.189 4.340 -0.001 0.000 0.271 549 L C -0.404 176.353 176.870 -0.188 0.000 1.071 549 L CA -1.198 53.545 54.840 -0.162 0.000 0.938 549 L CB 1.427 43.373 42.059 -0.188 0.000 1.534 549 L HN 0.459 nan 8.230 nan 0.000 0.396 550 S N -0.938 114.585 115.700 -0.296 0.000 2.671 550 S HA 0.418 4.888 4.470 -0.001 0.000 0.272 550 S C 0.517 174.940 174.600 -0.296 0.000 1.174 550 S CA -0.110 57.917 58.200 -0.288 0.000 1.004 550 S CB 0.984 63.921 63.200 -0.437 0.000 1.077 550 S HN 0.836 nan 8.310 nan 0.000 0.553 551 N N -0.064 118.544 118.700 -0.153 0.000 2.220 551 N HA 0.005 4.745 4.740 -0.001 0.000 0.182 551 N C 1.868 177.349 175.510 -0.048 0.000 1.023 551 N CA 1.085 54.108 53.050 -0.045 0.000 0.856 551 N CB -0.208 38.336 38.487 0.096 0.000 0.997 551 N HN 0.803 nan 8.380 nan 0.000 0.429 552 W N 2.002 123.334 121.300 0.052 0.000 2.358 552 W HA -0.094 4.566 4.660 -0.001 0.000 0.303 552 W C 1.368 177.906 176.519 0.033 0.000 1.208 552 W CA 0.579 57.951 57.345 0.045 0.000 1.274 552 W CB -1.109 28.384 29.460 0.055 0.000 1.138 552 W HN 0.098 nan 8.180 nan 0.000 0.515 553 Q N 1.154 120.139 119.800 -1.358 0.000 2.197 553 Q HA -0.275 4.065 4.340 -0.001 0.000 0.211 553 Q C 2.294 178.029 176.000 -0.443 0.000 0.993 553 Q CA 2.675 57.777 55.803 -1.169 0.000 0.883 553 Q CB -0.395 27.690 28.738 -1.088 0.000 0.916 553 Q HN 0.457 nan 8.270 nan 0.000 0.418 554 K N 0.738 120.964 120.400 -0.289 0.000 2.044 554 K HA -0.177 4.143 4.320 -0.001 0.000 0.204 554 K C 2.223 178.784 176.600 -0.065 0.000 1.049 554 K CA 1.261 57.463 56.287 -0.143 0.000 0.945 554 K CB 0.012 32.452 32.500 -0.099 0.000 0.724 554 K HN 0.240 nan 8.250 nan 0.000 0.440 555 Q N 0.299 120.091 119.800 -0.015 0.000 2.181 555 Q HA -0.234 4.105 4.340 -0.001 0.000 0.205 555 Q C 1.999 178.027 176.000 0.046 0.000 0.980 555 Q CA 1.748 57.573 55.803 0.037 0.000 0.862 555 Q CB -0.351 28.438 28.738 0.084 0.000 0.905 555 Q HN 0.273 nan 8.270 nan 0.000 0.429 556 M N 0.625 120.254 119.600 0.049 0.000 2.123 556 M HA -0.026 4.453 4.480 -0.001 0.000 0.263 556 M C 1.767 178.068 176.300 0.001 0.000 1.069 556 M CA 1.257 56.597 55.300 0.067 0.000 1.133 556 M CB -0.276 32.389 32.600 0.110 0.000 1.356 556 M HN 0.317 nan 8.290 nan 0.000 0.415 557 L N 0.491 121.682 121.223 -0.054 0.000 2.187 557 L HA -0.210 4.129 4.340 -0.001 0.000 0.213 557 L C 1.393 178.245 176.870 -0.029 0.000 1.100 557 L CA 1.787 56.589 54.840 -0.062 0.000 0.765 557 L CB -0.800 41.204 42.059 -0.091 0.000 0.904 557 L HN 0.353 nan 8.230 nan 0.000 0.437 558 D N -1.347 119.045 120.400 -0.015 0.000 2.113 558 D HA -0.075 4.564 4.640 -0.001 0.000 0.206 558 D C 2.124 178.426 176.300 0.002 0.000 0.979 558 D CA 0.584 54.579 54.000 -0.008 0.000 0.862 558 D CB -0.120 40.679 40.800 -0.001 0.000 1.013 558 D HN -0.044 nan 8.370 nan 0.000 0.455 559 R N 0.546 121.057 120.500 0.019 0.000 2.257 559 R HA -0.181 4.159 4.340 -0.001 0.000 0.265 559 R C 2.271 178.608 176.300 0.062 0.000 1.191 559 R CA 0.664 56.782 56.100 0.031 0.000 1.010 559 R CB -1.093 29.244 30.300 0.061 0.000 0.883 559 R HN 0.361 nan 8.270 nan 0.000 0.473 560 L N 0.394 121.669 121.223 0.087 0.000 2.007 560 L HA -0.162 4.177 4.340 -0.001 0.000 0.205 560 L C 2.072 179.067 176.870 0.209 0.000 1.073 560 L CA 1.310 56.284 54.840 0.223 0.000 0.744 560 L CB -0.603 41.531 42.059 0.124 0.000 0.898 560 L HN 0.202 nan 8.230 nan 0.000 0.435 561 N N 0.503 119.244 118.700 0.069 0.000 2.069 561 N HA -0.249 4.490 4.740 -0.001 0.000 0.191 561 N C 1.723 177.185 175.510 -0.080 0.000 1.031 561 N CA 1.797 54.835 53.050 -0.020 0.000 0.852 561 N CB -0.314 38.147 38.487 -0.042 0.000 1.018 561 N HN 0.504 nan 8.380 nan 0.000 0.423 562 E N 1.091 121.215 120.200 -0.126 0.000 2.204 562 E HA -0.088 4.261 4.350 -0.001 0.000 0.195 562 E C 1.795 178.105 176.600 -0.483 0.000 0.990 562 E CA 1.156 57.356 56.400 -0.334 0.000 0.821 562 E CB -0.052 29.456 29.700 -0.321 0.000 0.750 562 E HN 0.288 nan 8.360 nan 0.000 0.477 563 A N 1.304 124.005 122.820 -0.199 0.000 1.929 563 A HA -0.041 4.278 4.320 -0.001 0.000 0.216 563 A C 2.250 179.794 177.584 -0.066 0.000 1.176 563 A CA 1.204 53.181 52.037 -0.099 0.000 0.628 563 A CB -0.451 18.603 19.000 0.090 0.000 0.816 563 A HN 0.410 nan 8.150 nan 0.000 0.444 564 V N -3.183 116.689 119.914 -0.071 0.000 3.415 564 V HA 0.327 4.447 4.120 -0.001 0.000 0.325 564 V C 1.119 177.226 176.094 0.022 0.000 1.313 564 V CA 1.225 63.484 62.300 -0.068 0.000 1.228 564 V CB -0.447 31.158 31.823 -0.363 0.000 1.131 564 V HN 0.445 nan 8.190 nan 0.000 0.433 565 K N -0.464 119.934 120.400 -0.003 0.000 2.344 565 K HA 0.318 4.637 4.320 -0.001 0.000 0.200 565 K C 1.438 178.167 176.600 0.216 0.000 1.132 565 K CA 0.171 56.512 56.287 0.090 0.000 0.935 565 K CB 0.121 32.627 32.500 0.010 0.000 1.089 565 K HN 0.541 nan 8.250 nan 0.000 0.496 566 Y N 0.314 120.655 120.300 0.069 0.000 2.584 566 Y HA -0.078 4.472 4.550 -0.000 0.000 0.317 566 Y C 1.821 177.751 175.900 0.051 0.000 1.208 566 Y CA -0.101 58.031 58.100 0.053 0.000 1.299 566 Y CB 0.337 38.826 38.460 0.048 0.000 1.047 566 Y HN 0.155 nan 8.280 nan 0.000 0.506 567 T N -1.626 113.047 114.554 0.199 0.000 3.045 567 T HA 0.249 4.598 4.350 -0.001 0.000 0.239 567 T C 1.673 176.443 174.700 0.117 0.000 1.008 567 T CA 1.257 63.437 62.100 0.134 0.000 1.143 567 T CB 0.103 69.048 68.868 0.128 0.000 0.894 567 T HN 0.508 nan 8.240 nan 0.000 0.451 568 G N -0.691 108.199 108.800 0.151 0.000 3.743 568 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.220 568 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.220 568 G C -0.172 174.803 174.900 0.125 0.000 0.914 568 G CA -0.334 44.833 45.100 0.111 0.000 0.851 568 G HN 0.429 nan 8.290 nan 0.000 0.573 569 Y N 3.047 123.393 120.300 0.076 0.000 2.810 569 Y HA 0.328 4.877 4.550 -0.001 0.000 0.332 569 Y C 1.608 177.515 175.900 0.013 0.000 1.243 569 Y CA 1.776 59.904 58.100 0.048 0.000 1.537 569 Y CB 1.219 39.690 38.460 0.020 0.000 1.265 569 Y HN 0.179 nan 8.280 nan 0.000 0.572 570 T N 0.560 114.774 114.554 -0.566 0.000 3.231 570 T HA 0.260 4.610 4.350 -0.001 0.000 0.292 570 T C 1.090 175.482 174.700 -0.514 0.000 1.001 570 T CA 0.142 62.020 62.100 -0.370 0.000 0.920 570 T CB -0.182 68.554 68.868 -0.220 0.000 1.140 570 T HN 0.712 nan 8.240 nan 0.000 0.525 571 G N -0.140 107.982 108.800 -1.131 0.000 3.088 571 G HA2 0.540 4.500 3.960 -0.001 0.000 0.217 571 G HA3 0.540 4.500 3.960 -0.001 0.000 0.217 571 G C 1.008 175.903 174.900 -0.008 0.000 1.159 571 G CA 0.062 44.793 45.100 -0.615 0.000 0.760 571 G HN 1.073 nan 8.290 nan 0.000 0.550 572 G N 0.201 109.090 108.800 0.147 0.000 3.110 572 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.238 572 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.238 572 G C -0.919 174.116 174.900 0.226 0.000 1.647 572 G CA -0.014 45.196 45.100 0.182 0.000 1.146 572 G HN 0.401 nan 8.290 nan 0.000 0.545 573 D N -0.718 119.732 120.400 0.084 0.000 2.269 573 D HA 0.650 5.290 4.640 -0.001 0.000 0.244 573 D C 0.644 176.786 176.300 -0.263 0.000 0.992 573 D CA 0.193 54.138 54.000 -0.090 0.000 0.894 573 D CB 2.507 43.257 40.800 -0.084 0.000 1.248 573 D HN 0.590 nan 8.370 nan 0.000 0.468 574 V N 1.105 120.777 119.914 -0.403 0.000 3.635 574 V HA 0.213 4.333 4.120 -0.001 0.000 0.266 574 V C -0.582 175.308 176.094 -0.341 0.000 1.316 574 V CA 0.502 62.440 62.300 -0.604 0.000 1.060 574 V CB 0.686 31.891 31.823 -1.030 0.000 0.820 574 V HN 0.329 nan 8.190 nan 0.000 0.447 575 V N 1.705 121.519 119.914 -0.166 0.000 2.376 575 V HA 0.393 4.512 4.120 -0.001 0.000 0.287 575 V C 0.350 176.320 176.094 -0.208 0.000 1.015 575 V CA -0.213 62.024 62.300 -0.104 0.000 0.834 575 V CB 1.103 32.939 31.823 0.022 0.000 1.001 575 V HN 0.459 nan 8.190 nan 0.000 0.428 576 N N 2.355 120.825 118.700 -0.384 0.000 2.368 576 N HA 0.122 4.862 4.740 -0.001 0.000 0.178 576 N C 0.174 175.493 175.510 -0.319 0.000 1.076 576 N CA 0.158 52.994 53.050 -0.357 0.000 0.889 576 N CB 0.433 38.709 38.487 -0.351 0.000 1.040 576 N HN 0.873 nan 8.380 nan 0.000 0.463 577 H N -1.611 117.427 119.070 -0.053 0.000 3.048 577 H HA 0.638 5.193 4.556 -0.000 0.000 0.296 577 H C 0.256 175.530 175.328 -0.090 0.000 1.508 577 H CA -1.163 54.845 56.048 -0.067 0.000 1.250 577 H CB -0.082 29.647 29.762 -0.055 0.000 1.896 577 H HN -0.097 nan 8.280 nan 0.000 0.604 578 G N -0.543 108.335 108.800 0.130 0.000 2.651 578 G HA2 0.395 4.354 3.960 -0.001 0.000 0.260 578 G HA3 0.395 4.354 3.960 -0.001 0.000 0.260 578 G C -0.183 174.703 174.900 -0.023 0.000 1.216 578 G CA -0.175 44.916 45.100 -0.015 0.000 0.913 578 G HN 0.939 nan 8.290 nan 0.000 0.535 579 T N -1.925 112.567 114.554 -0.104 0.000 2.930 579 T HA 0.134 4.483 4.350 -0.001 0.000 0.306 579 T C 1.158 175.740 174.700 -0.197 0.000 1.045 579 T CA 0.230 62.241 62.100 -0.150 0.000 1.134 579 T CB 1.478 70.220 68.868 -0.209 0.000 0.961 579 T HN 0.619 nan 8.240 nan 0.000 0.545 580 E N 1.000 121.062 120.200 -0.230 0.000 2.394 580 E HA -0.230 4.120 4.350 -0.001 0.000 0.202 580 E C 1.762 178.163 176.600 -0.331 0.000 1.029 580 E CA 1.142 57.389 56.400 -0.255 0.000 0.855 580 E CB -0.372 29.186 29.700 -0.235 0.000 0.770 580 E HN 0.633 nan 8.360 nan 0.000 0.527 581 Q N 0.209 119.778 119.800 -0.384 0.000 2.500 581 Q HA -0.036 4.304 4.340 -0.001 0.000 0.213 581 Q C 0.406 176.290 176.000 -0.193 0.000 0.974 581 Q CA 0.946 56.536 55.803 -0.355 0.000 0.918 581 Q CB 0.188 28.683 28.738 -0.405 0.000 0.980 581 Q HN 0.402 nan 8.270 nan 0.000 0.505 582 D N -1.308 118.985 120.400 -0.178 0.000 2.469 582 D HA 0.046 4.686 4.640 -0.001 0.000 0.215 582 D C -0.121 176.076 176.300 -0.173 0.000 1.154 582 D CA -0.064 53.836 54.000 -0.167 0.000 0.832 582 D CB 0.226 40.948 40.800 -0.130 0.000 1.008 582 D HN 0.189 nan 8.370 nan 0.000 0.506 583 N N 1.724 120.313 118.700 -0.185 0.000 2.906 583 N HA -0.017 4.723 4.740 -0.001 0.000 0.282 583 N C 0.875 176.292 175.510 -0.154 0.000 1.293 583 N CA 0.126 53.096 53.050 -0.134 0.000 1.059 583 N CB 0.342 38.762 38.487 -0.112 0.000 1.388 583 N HN 0.259 nan 8.380 nan 0.000 0.533 584 E N 0.032 120.123 120.200 -0.181 0.000 2.160 584 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 584 E C 1.271 177.750 176.600 -0.200 0.000 0.991 584 E CA 0.872 57.150 56.400 -0.204 0.000 0.810 584 E CB 0.309 29.892 29.700 -0.196 0.000 0.742 584 E HN 0.386 nan 8.360 nan 0.000 0.466 585 E N 0.095 120.191 120.200 -0.173 0.000 1.996 585 E HA -0.116 4.233 4.350 -0.001 0.000 0.197 585 E C 0.403 176.684 176.600 -0.531 0.000 1.002 585 E CA 1.150 57.375 56.400 -0.292 0.000 0.840 585 E CB -0.167 29.521 29.700 -0.020 0.000 0.786 585 E HN 0.174 nan 8.360 nan 0.000 0.469 586 F N 1.674 121.587 119.950 -0.062 0.000 2.438 586 F HA 0.271 4.797 4.527 -0.001 0.000 0.315 586 F C -2.091 173.684 175.800 -0.041 0.000 1.258 586 F CA -2.456 55.519 58.000 -0.043 0.000 1.180 586 F CB 0.772 39.754 39.000 -0.031 0.000 1.412 586 F HN -0.124 nan 8.300 nan 0.000 0.544 587 P HA -0.003 nan 4.420 nan 0.000 0.266 587 P C -0.262 177.076 177.300 0.064 0.000 1.195 587 P CA 0.341 63.458 63.100 0.029 0.000 0.768 587 P CB 1.285 32.987 31.700 0.003 0.000 0.838 588 E N 1.877 122.123 120.200 0.077 0.000 2.244 588 E HA 0.350 4.700 4.350 -0.001 0.000 0.266 588 E C -0.451 176.182 176.600 0.056 0.000 0.914 588 E CA -0.913 55.531 56.400 0.073 0.000 0.794 588 E CB 2.286 32.050 29.700 0.105 0.000 1.210 588 E HN 0.378 nan 8.360 nan 0.000 0.414 589 K N 2.174 122.556 120.400 -0.029 0.000 2.464 589 K HA 0.273 4.592 4.320 -0.001 0.000 0.252 589 K C -1.437 175.211 176.600 0.081 0.000 1.000 589 K CA -0.437 55.748 56.287 -0.169 0.000 0.951 589 K CB 0.420 32.645 32.500 -0.459 0.000 1.183 589 K HN 0.331 nan 8.250 nan 0.000 0.445 590 D N 2.743 123.329 120.400 0.310 0.000 2.193 590 D HA 0.171 4.811 4.640 -0.001 0.000 0.244 590 D C 0.743 177.230 176.300 0.313 0.000 1.064 590 D CA -0.675 53.489 54.000 0.274 0.000 0.845 590 D CB 1.390 42.358 40.800 0.279 0.000 1.148 590 D HN 0.358 nan 8.370 nan 0.000 0.464 591 N N 1.556 120.380 118.700 0.207 0.000 2.028 591 N HA -0.115 4.624 4.740 -0.001 0.000 0.194 591 N C -0.107 175.481 175.510 0.129 0.000 1.050 591 N CA 0.990 54.152 53.050 0.187 0.000 0.848 591 N CB -0.045 38.515 38.487 0.122 0.000 1.038 591 N HN 0.565 nan 8.380 nan 0.000 0.423 592 E N 0.796 121.052 120.200 0.093 0.000 2.223 592 E HA 0.245 4.594 4.350 -0.001 0.000 0.282 592 E C -0.378 176.246 176.600 0.041 0.000 1.046 592 E CA -0.092 56.338 56.400 0.051 0.000 0.857 592 E CB 1.239 30.974 29.700 0.058 0.000 1.055 592 E HN 0.130 nan 8.360 nan 0.000 0.409 593 I N 3.658 124.203 120.570 -0.042 0.000 2.406 593 I HA 0.242 4.412 4.170 -0.001 0.000 0.290 593 I C -0.546 175.553 176.117 -0.031 0.000 0.999 593 I CA -0.811 60.440 61.300 -0.082 0.000 1.124 593 I CB 0.893 38.678 38.000 -0.359 0.000 1.289 593 I HN 0.491 nan 8.210 nan 0.000 0.441 594 F N 7.660 127.575 119.950 -0.058 0.000 2.404 594 F HA 0.605 5.131 4.527 -0.001 0.000 0.345 594 F C -0.244 175.547 175.800 -0.014 0.000 1.110 594 F CA -0.215 57.758 58.000 -0.045 0.000 1.130 594 F CB 0.685 39.672 39.000 -0.021 0.000 1.129 594 F HN 0.244 nan 8.300 nan 0.000 0.500 595 I N 6.848 127.048 120.570 -0.617 0.000 2.730 595 I HA 0.396 4.566 4.170 -0.001 0.000 0.298 595 I C -0.963 174.841 176.117 -0.522 0.000 1.089 595 I CA -0.787 60.285 61.300 -0.381 0.000 1.041 595 I CB 2.451 40.250 38.000 -0.335 0.000 1.235 595 I HN 0.392 nan 8.210 nan 0.000 0.423 596 I N 4.389 124.823 120.570 -0.226 0.000 2.495 596 I HA 0.173 4.343 4.170 -0.001 0.000 0.277 596 I C -0.417 175.602 176.117 -0.163 0.000 1.045 596 I CA -0.624 60.569 61.300 -0.179 0.000 1.135 596 I CB 1.053 39.022 38.000 -0.051 0.000 1.241 596 I HN 0.681 nan 8.210 nan 0.000 0.469 597 N N 7.663 126.213 118.700 -0.250 0.000 2.340 597 N HA 0.091 4.831 4.740 -0.001 0.000 0.236 597 N C -1.766 173.495 175.510 -0.414 0.000 1.296 597 N CA -1.036 51.649 53.050 -0.609 0.000 0.896 597 N CB -0.032 38.158 38.487 -0.494 0.000 1.127 597 N HN 0.268 nan 8.380 nan 0.000 0.442 598 P HA -0.122 nan 4.420 nan 0.000 0.231 598 P C 0.029 177.290 177.300 -0.065 0.000 1.158 598 P CA 1.121 64.122 63.100 -0.166 0.000 0.763 598 P CB 0.239 31.918 31.700 -0.036 0.000 0.805 599 E N -0.697 119.448 120.200 -0.091 0.000 2.166 599 E HA 0.107 4.457 4.350 -0.001 0.000 0.192 599 E C 1.745 178.352 176.600 0.011 0.000 0.967 599 E CA 1.194 57.580 56.400 -0.025 0.000 0.840 599 E CB -0.293 29.390 29.700 -0.028 0.000 0.795 599 E HN 0.354 nan 8.360 nan 0.000 0.470 600 G N 1.484 110.299 108.800 0.025 0.000 2.260 600 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.179 600 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.179 600 G C -0.103 174.912 174.900 0.191 0.000 1.002 600 G CA -0.249 44.920 45.100 0.116 0.000 0.677 600 G HN 0.222 nan 8.290 nan 0.000 0.486 601 E N 0.274 120.536 120.200 0.103 0.000 2.383 601 E HA 0.499 4.849 4.350 -0.001 0.000 0.264 601 E C -0.203 176.583 176.600 0.310 0.000 1.050 601 E CA -0.108 56.358 56.400 0.111 0.000 0.896 601 E CB 0.733 30.448 29.700 0.024 0.000 0.982 601 E HN 0.346 nan 8.360 nan 0.000 0.424 602 F N 1.769 121.650 119.950 -0.115 0.000 2.397 602 F HA 0.542 5.069 4.527 -0.000 0.000 0.331 602 F C 0.477 176.088 175.800 -0.314 0.000 1.090 602 F CA -0.962 56.882 58.000 -0.259 0.000 1.065 602 F CB 0.953 39.930 39.000 -0.039 0.000 1.184 602 F HN 0.146 nan 8.300 nan 0.000 0.499 603 I N 2.929 123.262 120.570 -0.395 0.000 2.752 603 I HA 0.340 4.509 4.170 -0.001 0.000 0.295 603 I C -1.588 174.283 176.117 -0.410 0.000 1.219 603 I CA -0.814 60.286 61.300 -0.334 0.000 1.030 603 I CB 2.906 40.687 38.000 -0.365 0.000 1.259 603 I HN 0.376 nan 8.210 nan 0.000 0.423 604 L N 5.220 126.315 121.223 -0.214 0.000 2.518 604 L HA 0.455 4.795 4.340 -0.001 0.000 0.262 604 L C 0.271 177.060 176.870 -0.134 0.000 0.982 604 L CA 0.044 54.814 54.840 -0.117 0.000 0.873 604 L CB 1.598 43.696 42.059 0.066 0.000 1.198 604 L HN 0.806 nan 8.230 nan 0.000 0.427 605 T N 0.622 115.050 114.554 -0.209 0.000 2.680 605 T HA 0.235 4.584 4.350 -0.001 0.000 0.314 605 T C 0.704 175.360 174.700 -0.073 0.000 1.045 605 T CA 0.058 62.055 62.100 -0.170 0.000 1.025 605 T CB 0.866 69.596 68.868 -0.230 0.000 1.000 605 T HN 0.747 nan 8.240 nan 0.000 0.535 606 K N -0.007 120.366 120.400 -0.045 0.000 2.464 606 K HA 0.259 4.579 4.320 -0.001 0.000 0.206 606 K C 0.120 176.735 176.600 0.024 0.000 1.186 606 K CA -0.317 55.968 56.287 -0.003 0.000 0.990 606 K CB 0.463 32.964 32.500 0.001 0.000 1.003 606 K HN 0.465 nan 8.250 nan 0.000 0.562 607 N N -0.726 117.982 118.700 0.013 0.000 2.405 607 N HA 0.064 4.803 4.740 -0.001 0.000 0.285 607 N C -0.610 174.949 175.510 0.082 0.000 1.262 607 N CA -0.576 52.512 53.050 0.064 0.000 0.773 607 N CB 1.034 39.546 38.487 0.041 0.000 1.490 607 N HN 0.046 nan 8.380 nan 0.000 0.486 608 W N 1.445 122.744 121.300 -0.002 0.000 2.363 608 W HA -0.140 4.520 4.660 -0.000 0.000 0.296 608 W C 0.590 177.092 176.519 -0.028 0.000 1.212 608 W CA 1.521 58.881 57.345 0.025 0.000 1.260 608 W CB 0.440 29.926 29.460 0.043 0.000 1.131 608 W HN 0.616 nan 8.180 nan 0.000 0.530 609 E N 0.179 120.355 120.200 -0.040 0.000 2.028 609 E HA -0.252 4.097 4.350 -0.001 0.000 0.190 609 E C 2.199 178.661 176.600 -0.229 0.000 0.984 609 E CA 1.826 58.123 56.400 -0.171 0.000 0.800 609 E CB -1.163 28.500 29.700 -0.060 0.000 0.758 609 E HN 0.190 nan 8.360 nan 0.000 0.448 610 M N 0.513 120.031 119.600 -0.135 0.000 2.108 610 M HA -0.220 4.260 4.480 -0.001 0.000 0.261 610 M C 1.645 177.862 176.300 -0.138 0.000 1.066 610 M CA 1.722 56.955 55.300 -0.112 0.000 1.107 610 M CB -0.225 32.337 32.600 -0.064 0.000 1.356 610 M HN 0.119 nan 8.290 nan 0.000 0.406 611 T N 0.236 114.661 114.554 -0.215 0.000 2.652 611 T HA -0.111 4.238 4.350 -0.001 0.000 0.267 611 T C 1.631 176.159 174.700 -0.288 0.000 1.039 611 T CA 1.606 63.552 62.100 -0.256 0.000 1.153 611 T CB -1.029 67.609 68.868 -0.384 0.000 0.863 611 T HN 0.694 nan 8.240 nan 0.000 0.428 612 G N 1.345 109.808 108.800 -0.561 0.000 2.480 612 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.216 612 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.216 612 G C 1.689 176.248 174.900 -0.569 0.000 1.200 612 G CA 0.873 45.425 45.100 -0.913 0.000 0.782 612 G HN 0.391 nan 8.290 nan 0.000 0.554 613 R N -0.782 119.482 120.500 -0.393 0.000 2.096 613 R HA -0.102 4.238 4.340 -0.001 0.000 0.240 613 R C 2.313 178.478 176.300 -0.225 0.000 1.139 613 R CA 1.618 57.553 56.100 -0.275 0.000 0.952 613 R CB -0.618 29.570 30.300 -0.187 0.000 0.854 613 R HN 0.418 nan 8.270 nan 0.000 0.436 614 F N 1.311 121.098 119.950 -0.273 0.000 2.046 614 F HA -0.229 4.298 4.527 -0.001 0.000 0.297 614 F C 1.940 177.576 175.800 -0.273 0.000 1.123 614 F CA 1.747 59.609 58.000 -0.230 0.000 1.199 614 F CB -0.245 38.631 39.000 -0.205 0.000 0.972 614 F HN -0.083 nan 8.300 nan 0.000 0.474 615 I N 0.212 120.706 120.570 -0.128 0.000 2.335 615 I HA -0.298 3.872 4.170 -0.001 0.000 0.251 615 I C 2.169 178.035 176.117 -0.418 0.000 1.129 615 I CA 1.704 62.822 61.300 -0.304 0.000 1.402 615 I CB -0.765 37.063 38.000 -0.285 0.000 1.069 615 I HN 0.312 nan 8.210 nan 0.000 0.424 616 E N 0.967 120.942 120.200 -0.375 0.000 2.072 616 E HA -0.232 4.118 4.350 -0.001 0.000 0.191 616 E C 2.197 178.623 176.600 -0.289 0.000 0.985 616 E CA 0.994 57.209 56.400 -0.309 0.000 0.801 616 E CB -0.045 29.480 29.700 -0.291 0.000 0.750 616 E HN 0.409 nan 8.360 nan 0.000 0.452 617 K N 0.804 120.998 120.400 -0.343 0.000 2.062 617 K HA -0.097 4.223 4.320 -0.001 0.000 0.205 617 K C 1.277 177.658 176.600 -0.366 0.000 1.051 617 K CA 1.553 57.650 56.287 -0.318 0.000 0.941 617 K CB 0.124 32.430 32.500 -0.322 0.000 0.719 617 K HN 0.023 nan 8.250 nan 0.000 0.440 618 N N -0.454 117.901 118.700 -0.576 0.000 2.432 618 N HA 0.120 4.859 4.740 -0.001 0.000 0.174 618 N C 1.423 176.589 175.510 -0.574 0.000 1.037 618 N CA 0.587 53.298 53.050 -0.565 0.000 0.892 618 N CB 0.403 38.383 38.487 -0.845 0.000 1.049 618 N HN 0.125 nan 8.380 nan 0.000 0.442 619 I N -0.619 119.585 120.570 -0.609 0.000 3.341 619 I HA 0.048 4.217 4.170 -0.001 0.000 0.243 619 I C 1.732 177.722 176.117 -0.212 0.000 1.094 619 I CA 0.434 61.411 61.300 -0.538 0.000 1.507 619 I CB -0.786 36.813 38.000 -0.668 0.000 1.441 619 I HN -0.081 nan 8.210 nan 0.000 0.465 620 T N 1.153 115.574 114.554 -0.222 0.000 2.567 620 T HA -0.243 4.107 4.350 -0.001 0.000 0.261 620 T C 1.290 175.972 174.700 -0.030 0.000 1.123 620 T CA 2.179 64.232 62.100 -0.079 0.000 1.166 620 T CB -0.683 68.121 68.868 -0.107 0.000 0.860 620 T HN 0.595 nan 8.240 nan 0.000 0.436 621 G N 1.283 110.040 108.800 -0.072 0.000 4.084 621 G HA2 0.478 4.437 3.960 -0.001 0.000 0.293 621 G HA3 0.478 4.437 3.960 -0.001 0.000 0.293 621 G C 0.011 174.898 174.900 -0.022 0.000 1.303 621 G CA -0.266 44.813 45.100 -0.036 0.000 1.289 621 G HN 0.194 nan 8.290 nan 0.000 0.609 622 K N -0.284 120.130 120.400 0.023 0.000 2.054 622 K HA 0.388 4.707 4.320 -0.001 0.000 0.248 622 K C -0.855 175.828 176.600 0.139 0.000 1.019 622 K CA -0.971 55.370 56.287 0.089 0.000 0.855 622 K CB 1.026 33.596 32.500 0.117 0.000 1.473 622 K HN -0.122 nan 8.250 nan 0.000 0.483 623 D N 1.585 122.063 120.400 0.131 0.000 2.973 623 D HA 0.172 4.811 4.640 -0.001 0.000 0.263 623 D C -0.762 175.388 176.300 -0.250 0.000 1.266 623 D CA 0.155 54.113 54.000 -0.069 0.000 0.975 623 D CB -0.018 40.691 40.800 -0.150 0.000 1.032 623 D HN 0.218 nan 8.370 nan 0.000 0.510 624 Y N 0.031 120.320 120.300 -0.018 0.000 2.499 624 Y HA 0.313 4.863 4.550 -0.001 0.000 0.347 624 Y C 0.029 175.939 175.900 0.016 0.000 0.987 624 Y CA -1.322 56.771 58.100 -0.012 0.000 1.044 624 Y CB 1.624 40.063 38.460 -0.034 0.000 1.245 624 Y HN 0.005 nan 8.280 nan 0.000 0.461 625 L N 3.950 125.266 121.223 0.154 0.000 2.319 625 L HA 0.466 4.806 4.340 -0.001 0.000 0.280 625 L C -1.575 175.430 176.870 0.227 0.000 1.099 625 L CA -0.406 54.514 54.840 0.134 0.000 0.828 625 L CB 0.061 42.128 42.059 0.013 0.000 1.150 625 L HN 0.640 nan 8.230 nan 0.000 0.442 626 Y N 5.466 125.829 120.300 0.105 0.000 2.482 626 Y HA 0.554 5.103 4.550 -0.001 0.000 0.334 626 Y C -1.645 174.348 175.900 0.154 0.000 1.091 626 Y CA -0.966 57.173 58.100 0.065 0.000 1.027 626 Y CB 1.289 39.789 38.460 0.067 0.000 1.306 626 Y HN 0.681 nan 8.280 nan 0.000 0.446 627 Y N 4.174 124.326 120.300 -0.247 0.000 2.576 627 Y HA 0.829 5.378 4.550 -0.001 0.000 0.346 627 Y C -1.705 173.988 175.900 -0.346 0.000 1.018 627 Y CA -2.470 55.557 58.100 -0.121 0.000 1.050 627 Y CB 0.998 39.360 38.460 -0.163 0.000 1.280 627 Y HN 0.506 nan 8.280 nan 0.000 0.474 628 F N -0.449 119.507 119.950 0.010 0.000 2.538 628 F HA 0.538 5.065 4.527 -0.001 0.000 0.325 628 F C -0.079 175.593 175.800 -0.213 0.000 1.066 628 F CA -1.719 56.154 58.000 -0.212 0.000 0.946 628 F CB 1.292 40.130 39.000 -0.270 0.000 1.199 628 F HN 0.750 nan 8.300 nan 0.000 0.473 629 N N 2.234 120.657 118.700 -0.463 0.000 2.160 629 N HA -0.116 4.624 4.740 -0.001 0.000 0.283 629 N C 1.037 176.150 175.510 -0.663 0.000 1.363 629 N CA -0.215 52.363 53.050 -0.786 0.000 0.848 629 N CB 0.575 38.162 38.487 -1.500 0.000 1.127 629 N HN 0.561 nan 8.380 nan 0.000 0.493 630 R N 1.759 121.986 120.500 -0.456 0.000 2.211 630 R HA -0.104 4.235 4.340 -0.001 0.000 0.240 630 R C 0.848 177.004 176.300 -0.241 0.000 1.144 630 R CA 0.869 56.761 56.100 -0.346 0.000 0.992 630 R CB -0.366 29.765 30.300 -0.282 0.000 0.869 630 R HN 0.474 nan 8.270 nan 0.000 0.462 631 S N 0.050 115.572 115.700 -0.296 0.000 2.671 631 S HA 0.127 4.597 4.470 -0.001 0.000 0.220 631 S C 0.032 174.628 174.600 -0.007 0.000 0.951 631 S CA -0.249 57.855 58.200 -0.160 0.000 0.932 631 S CB -0.072 63.020 63.200 -0.181 0.000 0.777 631 S HN 0.272 nan 8.310 nan 0.000 0.508 632 Y N 2.357 122.677 120.300 0.033 0.000 2.319 632 Y HA 0.141 4.690 4.550 -0.001 0.000 0.328 632 Y C 0.987 176.913 175.900 0.042 0.000 1.133 632 Y CA -0.902 57.250 58.100 0.087 0.000 1.265 632 Y CB 0.399 39.059 38.460 0.335 0.000 1.218 632 Y HN 0.180 nan 8.280 nan 0.000 0.508 633 N N 0.397 119.075 118.700 -0.037 0.000 2.936 633 N HA -0.200 4.539 4.740 -0.001 0.000 0.236 633 N C -0.543 174.977 175.510 0.017 0.000 0.930 633 N CA 1.047 53.982 53.050 -0.192 0.000 0.966 633 N CB -0.809 37.757 38.487 0.133 0.000 1.090 633 N HN 0.614 nan 8.380 nan 0.000 0.592 634 K N 0.097 120.515 120.400 0.030 0.000 2.296 634 K HA 0.665 4.984 4.320 -0.001 0.000 0.243 634 K C 0.061 176.786 176.600 0.209 0.000 1.082 634 K CA -0.776 55.604 56.287 0.155 0.000 0.929 634 K CB 0.818 33.358 32.500 0.066 0.000 1.353 634 K HN -0.077 nan 8.250 nan 0.000 0.536 635 I N 0.510 121.166 120.570 0.144 0.000 2.697 635 I HA 0.241 4.411 4.170 -0.001 0.000 0.279 635 I C -0.205 175.920 176.117 0.012 0.000 1.171 635 I CA -0.846 60.529 61.300 0.126 0.000 1.135 635 I CB 0.719 38.781 38.000 0.102 0.000 1.445 635 I HN 0.463 nan 8.210 nan 0.000 0.541 636 A N 5.832 128.637 122.820 -0.024 0.000 2.567 636 A HA 0.104 4.423 4.320 -0.001 0.000 0.263 636 A C -1.252 176.237 177.584 -0.158 0.000 1.030 636 A CA -0.150 51.819 52.037 -0.113 0.000 0.833 636 A CB -0.447 18.474 19.000 -0.132 0.000 0.924 636 A HN 0.528 nan 8.150 nan 0.000 0.518 637 P HA -0.228 nan 4.420 nan 0.000 0.211 637 P C 1.894 179.024 177.300 -0.283 0.000 1.181 637 P CA 2.009 64.995 63.100 -0.190 0.000 0.929 637 P CB -0.096 31.497 31.700 -0.179 0.000 0.789 638 G N 0.423 108.890 108.800 -0.554 0.000 2.855 638 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.227 638 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.227 638 G C 1.046 175.684 174.900 -0.438 0.000 1.245 638 G CA 1.884 46.367 45.100 -1.028 0.000 0.781 638 G HN 0.545 nan 8.290 nan 0.000 0.666 639 N N -0.187 118.302 118.700 -0.352 0.000 2.336 639 N HA 0.143 4.883 4.740 -0.001 0.000 0.189 639 N C 0.101 175.603 175.510 -0.013 0.000 1.113 639 N CA 0.370 53.441 53.050 0.035 0.000 0.858 639 N CB 0.137 38.730 38.487 0.176 0.000 0.970 639 N HN 0.326 nan 8.380 nan 0.000 0.471 640 K N 0.079 120.433 120.400 -0.077 0.000 3.156 640 K HA -0.206 4.114 4.320 -0.001 0.000 0.266 640 K C -0.798 175.807 176.600 0.007 0.000 0.966 640 K CA 0.323 56.588 56.287 -0.035 0.000 0.719 640 K CB -1.392 31.096 32.500 -0.020 0.000 1.333 640 K HN 0.540 nan 8.250 nan 0.000 0.468 641 A N 0.790 123.617 122.820 0.010 0.000 2.340 641 A HA 0.591 4.910 4.320 -0.001 0.000 0.331 641 A C -1.261 176.386 177.584 0.105 0.000 1.140 641 A CA -0.555 51.512 52.037 0.050 0.000 0.801 641 A CB 0.693 19.708 19.000 0.024 0.000 1.234 641 A HN 0.325 nan 8.150 nan 0.000 0.469 642 Y N 2.639 122.933 120.300 -0.011 0.000 2.417 642 Y HA 0.591 5.141 4.550 -0.000 0.000 0.336 642 Y C -0.732 175.168 175.900 -0.001 0.000 0.961 642 Y CA -0.723 57.384 58.100 0.012 0.000 1.215 642 Y CB 0.636 39.099 38.460 0.006 0.000 1.120 642 Y HN 0.494 nan 8.280 nan 0.000 0.499 643 I N 5.678 126.113 120.570 -0.225 0.000 2.354 643 I HA 0.239 4.408 4.170 -0.001 0.000 0.286 643 I C -0.288 175.662 176.117 -0.279 0.000 1.007 643 I CA -0.766 60.378 61.300 -0.261 0.000 1.167 643 I CB 1.515 39.405 38.000 -0.183 0.000 1.320 643 I HN 0.534 nan 8.210 nan 0.000 0.458 644 E N 6.034 126.102 120.200 -0.220 0.000 2.354 644 E HA 0.202 4.552 4.350 -0.001 0.000 0.269 644 E C -1.432 175.335 176.600 0.279 0.000 1.036 644 E CA -0.069 56.318 56.400 -0.022 0.000 0.876 644 E CB 1.291 31.026 29.700 0.058 0.000 1.009 644 E HN 0.483 nan 8.360 nan 0.000 0.416 645 W N 4.413 125.687 121.300 -0.043 0.000 3.544 645 W HA 0.099 4.759 4.660 -0.001 0.000 0.326 645 W C -1.067 175.337 176.519 -0.191 0.000 1.137 645 W CA -0.753 56.507 57.345 -0.142 0.000 1.252 645 W CB 1.265 30.566 29.460 -0.265 0.000 1.302 645 W HN 0.560 nan 8.180 nan 0.000 0.467 646 T N 1.851 116.144 114.554 -0.435 0.000 2.750 646 T HA -0.065 4.285 4.350 -0.001 0.000 0.277 646 T C -0.374 174.194 174.700 -0.220 0.000 0.996 646 T CA 0.483 62.398 62.100 -0.309 0.000 1.195 646 T CB 0.858 69.492 68.868 -0.392 0.000 0.963 646 T HN 0.299 nan 8.240 nan 0.000 0.516 647 D N 3.658 124.055 120.400 -0.005 0.000 2.453 647 D HA 0.356 4.995 4.640 -0.001 0.000 0.238 647 D C -1.738 174.634 176.300 0.121 0.000 1.088 647 D CA -2.700 51.386 54.000 0.144 0.000 0.854 647 D CB 1.860 42.861 40.800 0.335 0.000 1.076 647 D HN 0.117 nan 8.370 nan 0.000 0.533 648 P HA -0.142 nan 4.420 nan 0.000 0.216 648 P C 1.674 179.035 177.300 0.102 0.000 1.154 648 P CA 1.033 64.184 63.100 0.085 0.000 0.865 648 P CB 0.306 32.061 31.700 0.092 0.000 0.789 649 I N -1.423 119.230 120.570 0.138 0.000 2.163 649 I HA -0.257 3.913 4.170 -0.001 0.000 0.243 649 I C 2.015 178.198 176.117 0.109 0.000 1.085 649 I CA 1.796 63.169 61.300 0.121 0.000 1.347 649 I CB -1.315 36.765 38.000 0.133 0.000 1.044 649 I HN 0.018 nan 8.210 nan 0.000 0.408 650 T N 0.313 114.942 114.554 0.125 0.000 2.788 650 T HA -0.186 4.164 4.350 -0.001 0.000 0.268 650 T C 1.878 176.631 174.700 0.088 0.000 1.044 650 T CA 1.273 63.441 62.100 0.113 0.000 1.139 650 T CB -0.161 68.785 68.868 0.130 0.000 0.867 650 T HN 0.118 nan 8.240 nan 0.000 0.454 651 K N 1.788 122.233 120.400 0.074 0.000 2.052 651 K HA -0.073 4.246 4.320 -0.001 0.000 0.215 651 K C 2.035 178.667 176.600 0.052 0.000 1.053 651 K CA 1.699 58.018 56.287 0.053 0.000 0.934 651 K CB -0.614 31.911 32.500 0.040 0.000 0.717 651 K HN 0.325 nan 8.250 nan 0.000 0.450 652 A N -0.189 122.664 122.820 0.056 0.000 2.238 652 A HA -0.016 4.304 4.320 -0.001 0.000 0.208 652 A C 1.811 179.423 177.584 0.047 0.000 1.177 652 A CA 0.972 53.038 52.037 0.049 0.000 0.804 652 A CB -0.370 18.663 19.000 0.054 0.000 0.823 652 A HN 0.350 nan 8.150 nan 0.000 0.482 653 K N 0.601 121.038 120.400 0.062 0.000 2.057 653 K HA -0.093 4.227 4.320 -0.001 0.000 0.207 653 K C 1.545 178.167 176.600 0.037 0.000 1.049 653 K CA 1.698 58.024 56.287 0.064 0.000 0.931 653 K CB -0.366 32.194 32.500 0.100 0.000 0.714 653 K HN 0.475 nan 8.250 nan 0.000 0.440 654 I N 1.405 122.001 120.570 0.043 0.000 2.236 654 I HA -0.315 3.854 4.170 -0.001 0.000 0.249 654 I C 0.873 176.964 176.117 -0.043 0.000 1.102 654 I CA 1.588 62.896 61.300 0.013 0.000 1.365 654 I CB -0.489 37.528 38.000 0.028 0.000 1.051 654 I HN 0.317 nan 8.210 nan 0.000 0.420 655 N N -0.157 118.525 118.700 -0.030 0.000 2.295 655 N HA 0.082 4.821 4.740 -0.001 0.000 0.221 655 N C -0.480 174.990 175.510 -0.067 0.000 1.129 655 N CA -0.059 52.958 53.050 -0.054 0.000 0.836 655 N CB 0.507 38.978 38.487 -0.028 0.000 1.040 655 N HN 0.146 nan 8.380 nan 0.000 0.494 656 T N 0.921 115.434 114.554 -0.069 0.000 2.841 656 T HA 0.267 4.617 4.350 -0.001 0.000 0.285 656 T C -0.059 174.563 174.700 -0.130 0.000 0.991 656 T CA -0.536 61.526 62.100 -0.064 0.000 0.966 656 T CB 1.991 70.871 68.868 0.020 0.000 0.962 656 T HN 0.092 nan 8.240 nan 0.000 0.438 657 I N 6.129 126.551 120.570 -0.247 0.000 2.648 657 I HA 0.193 4.362 4.170 -0.001 0.000 0.284 657 I C -1.733 174.310 176.117 -0.123 0.000 1.153 657 I CA -1.911 59.192 61.300 -0.329 0.000 1.426 657 I CB 1.145 38.724 38.000 -0.701 0.000 1.381 657 I HN 0.377 nan 8.210 nan 0.000 0.571 658 P HA 0.125 nan 4.420 nan 0.000 0.274 658 P C -0.853 176.487 177.300 0.067 0.000 1.256 658 P CA -0.254 62.845 63.100 -0.002 0.000 0.795 658 P CB 0.577 32.270 31.700 -0.011 0.000 1.038 659 T N -3.756 110.820 114.554 0.037 0.000 2.936 659 T HA 0.189 4.538 4.350 -0.001 0.000 0.282 659 T C 1.463 176.227 174.700 0.107 0.000 1.003 659 T CA -0.292 61.817 62.100 0.015 0.000 1.005 659 T CB 0.654 69.415 68.868 -0.177 0.000 1.097 659 T HN 0.398 nan 8.240 nan 0.000 0.532 660 S N 0.640 116.409 115.700 0.115 0.000 2.359 660 S HA -0.200 4.270 4.470 -0.001 0.000 0.222 660 S C 2.329 177.039 174.600 0.183 0.000 1.038 660 S CA 1.854 60.154 58.200 0.165 0.000 1.051 660 S CB -1.263 62.011 63.200 0.123 0.000 0.944 660 S HN 0.944 nan 8.310 nan 0.000 0.433 661 A N 0.955 123.831 122.820 0.092 0.000 1.877 661 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 661 A C 2.115 179.737 177.584 0.063 0.000 1.186 661 A CA 1.760 53.830 52.037 0.056 0.000 0.620 661 A CB -1.029 17.979 19.000 0.013 0.000 0.822 661 A HN 0.777 nan 8.150 nan 0.000 0.443 662 E N -1.587 118.654 120.200 0.068 0.000 2.267 662 E HA -0.208 4.142 4.350 -0.001 0.000 0.197 662 E C 1.558 178.260 176.600 0.171 0.000 0.998 662 E CA 1.210 57.660 56.400 0.083 0.000 0.830 662 E CB -0.169 29.573 29.700 0.070 0.000 0.751 662 E HN 0.634 nan 8.360 nan 0.000 0.491 663 F N 0.881 120.858 119.950 0.045 0.000 2.123 663 F HA 0.031 4.558 4.527 -0.000 0.000 0.289 663 F C 1.933 177.773 175.800 0.066 0.000 1.099 663 F CA 0.915 58.968 58.000 0.089 0.000 1.234 663 F CB -0.484 38.550 39.000 0.058 0.000 1.034 663 F HN -0.082 nan 8.300 nan 0.000 0.479 664 I N 0.296 120.781 120.570 -0.142 0.000 2.315 664 I HA -0.333 3.837 4.170 -0.001 0.000 0.251 664 I C 2.235 178.218 176.117 -0.224 0.000 1.125 664 I CA 1.189 62.332 61.300 -0.260 0.000 1.392 664 I CB -0.507 37.453 38.000 -0.067 0.000 1.065 664 I HN 0.131 nan 8.210 nan 0.000 0.424 665 K N 1.448 121.768 120.400 -0.133 0.000 1.978 665 K HA -0.157 4.163 4.320 -0.001 0.000 0.214 665 K C 1.616 178.086 176.600 -0.216 0.000 1.049 665 K CA 1.863 58.073 56.287 -0.129 0.000 0.939 665 K CB -0.662 31.797 32.500 -0.068 0.000 0.721 665 K HN 0.343 nan 8.250 nan 0.000 0.441 666 N N 0.143 118.695 118.700 -0.247 0.000 2.334 666 N HA -0.176 4.564 4.740 -0.001 0.000 0.187 666 N C 1.487 176.611 175.510 -0.643 0.000 1.016 666 N CA 0.652 53.422 53.050 -0.467 0.000 0.879 666 N CB -0.090 38.046 38.487 -0.585 0.000 0.965 666 N HN 0.074 nan 8.380 nan 0.000 0.438 667 L N -0.182 120.732 121.223 -0.515 0.000 2.022 667 L HA -0.107 4.233 4.340 -0.001 0.000 0.204 667 L C 2.611 179.315 176.870 -0.278 0.000 1.076 667 L CA 0.711 55.307 54.840 -0.408 0.000 0.749 667 L CB -0.867 41.010 42.059 -0.304 0.000 0.903 667 L HN 0.133 nan 8.230 nan 0.000 0.439 668 S N -0.206 115.364 115.700 -0.217 0.000 2.393 668 S HA -0.333 4.137 4.470 -0.001 0.000 0.234 668 S C 2.286 176.784 174.600 -0.171 0.000 1.064 668 S CA 2.237 60.343 58.200 -0.158 0.000 1.088 668 S CB -0.434 62.686 63.200 -0.133 0.000 0.939 668 S HN 0.549 nan 8.310 nan 0.000 0.448 669 S N 1.418 116.986 115.700 -0.220 0.000 2.427 669 S HA -0.205 4.265 4.470 -0.001 0.000 0.231 669 S C 1.813 176.279 174.600 -0.222 0.000 1.045 669 S CA 2.211 60.279 58.200 -0.221 0.000 1.154 669 S CB -1.145 61.889 63.200 -0.277 0.000 1.093 669 S HN 0.633 nan 8.310 nan 0.000 0.422 670 I N 1.473 121.847 120.570 -0.327 0.000 2.145 670 I HA -0.258 3.911 4.170 -0.001 0.000 0.244 670 I C 2.966 179.009 176.117 -0.122 0.000 1.075 670 I CA 2.029 63.145 61.300 -0.307 0.000 1.332 670 I CB -0.733 36.877 38.000 -0.650 0.000 1.033 670 I HN 0.383 nan 8.210 nan 0.000 0.410 671 R N 0.974 121.438 120.500 -0.060 0.000 2.136 671 R HA -0.207 4.133 4.340 -0.001 0.000 0.242 671 R C 2.183 178.459 176.300 -0.040 0.000 1.131 671 R CA 1.619 57.720 56.100 0.001 0.000 0.937 671 R CB -0.229 30.049 30.300 -0.037 0.000 0.863 671 R HN 0.117 nan 8.270 nan 0.000 0.435 672 R N 0.152 120.609 120.500 -0.071 0.000 2.362 672 R HA 0.009 4.348 4.340 -0.001 0.000 0.204 672 R C 0.867 177.128 176.300 -0.066 0.000 1.088 672 R CA 0.493 56.553 56.100 -0.067 0.000 1.121 672 R CB -0.336 29.919 30.300 -0.076 0.000 0.954 672 R HN 0.240 nan 8.270 nan 0.000 0.478 673 S N -1.605 114.057 115.700 -0.063 0.000 3.829 673 S HA 0.042 4.512 4.470 -0.001 0.000 0.201 673 S C -0.032 174.547 174.600 -0.036 0.000 1.005 673 S CA 0.204 58.367 58.200 -0.061 0.000 0.935 673 S CB 0.085 63.231 63.200 -0.089 0.000 1.181 673 S HN 0.328 nan 8.310 nan 0.000 0.622 674 S N 2.577 118.266 115.700 -0.019 0.000 2.473 674 S HA 0.359 4.829 4.470 -0.001 0.000 0.312 674 S C 0.479 175.091 174.600 0.020 0.000 1.087 674 S CA -0.513 57.693 58.200 0.010 0.000 1.077 674 S CB 0.103 63.329 63.200 0.044 0.000 1.065 674 S HN 0.431 nan 8.310 nan 0.000 0.510 675 N N 2.168 120.868 118.700 -0.001 0.000 2.562 675 N HA -0.167 4.572 4.740 -0.001 0.000 0.201 675 N C 0.835 176.343 175.510 -0.003 0.000 1.043 675 N CA 1.322 54.368 53.050 -0.007 0.000 0.929 675 N CB -0.725 37.753 38.487 -0.016 0.000 0.945 675 N HN 0.916 nan 8.380 nan 0.000 0.454 676 V N 0.160 120.084 119.914 0.018 0.000 2.488 676 V HA 0.562 4.682 4.120 -0.001 0.000 0.277 676 V C 1.111 177.195 176.094 -0.016 0.000 1.046 676 V CA -0.058 62.236 62.300 -0.010 0.000 0.986 676 V CB 0.838 32.652 31.823 -0.014 0.000 0.989 676 V HN 0.076 nan 8.190 nan 0.000 0.475 677 G N 2.311 111.027 108.800 -0.139 0.000 2.477 677 G HA2 0.489 4.449 3.960 -0.001 0.000 0.304 677 G HA3 0.489 4.449 3.960 -0.001 0.000 0.304 677 G C 0.949 175.504 174.900 -0.575 0.000 1.175 677 G CA 0.319 45.267 45.100 -0.254 0.000 0.907 677 G HN 1.348 nan 8.290 nan 0.000 0.509 678 V N -0.346 119.095 119.914 -0.789 0.000 2.250 678 V HA -0.140 3.979 4.120 -0.001 0.000 0.253 678 V C 1.021 176.980 176.094 -0.225 0.000 1.065 678 V CA 1.929 63.874 62.300 -0.591 0.000 1.039 678 V CB -1.932 29.860 31.823 -0.051 0.000 0.647 678 V HN 0.770 nan 8.190 nan 0.000 0.446 679 Y N -0.340 119.875 120.300 -0.141 0.000 2.409 679 Y HA 0.782 5.332 4.550 -0.001 0.000 0.343 679 Y C -0.375 175.486 175.900 -0.066 0.000 0.973 679 Y CA -2.387 55.663 58.100 -0.082 0.000 1.064 679 Y CB 1.315 39.749 38.460 -0.044 0.000 1.207 679 Y HN 0.056 nan 8.280 nan 0.000 0.452 680 K N 1.860 122.325 120.400 0.108 0.000 2.098 680 K HA 0.232 4.552 4.320 -0.001 0.000 0.258 680 K C -1.170 175.529 176.600 0.165 0.000 0.973 680 K CA -0.775 55.546 56.287 0.056 0.000 0.898 680 K CB 1.062 33.571 32.500 0.015 0.000 1.057 680 K HN 0.899 nan 8.250 nan 0.000 0.447 681 D N 2.054 122.522 120.400 0.114 0.000 2.435 681 D HA 0.089 4.729 4.640 -0.001 0.000 0.230 681 D C -0.717 175.629 176.300 0.077 0.000 1.215 681 D CA 0.260 54.332 54.000 0.119 0.000 0.947 681 D CB 0.171 41.023 40.800 0.086 0.000 1.048 681 D HN 0.565 nan 8.370 nan 0.000 0.512 682 S N 0.835 116.585 115.700 0.083 0.000 3.121 682 S HA 0.688 5.158 4.470 -0.001 0.000 0.324 682 S C 0.959 175.596 174.600 0.061 0.000 1.192 682 S CA -0.274 57.961 58.200 0.058 0.000 0.937 682 S CB 1.152 64.380 63.200 0.048 0.000 1.336 682 S HN 0.187 nan 8.310 nan 0.000 0.664 683 G N -0.707 108.120 108.800 0.044 0.000 2.944 683 G HA2 0.381 4.341 3.960 -0.001 0.000 0.220 683 G HA3 0.381 4.341 3.960 -0.001 0.000 0.220 683 G C 0.331 175.246 174.900 0.024 0.000 1.100 683 G CA 0.502 45.623 45.100 0.036 0.000 0.780 683 G HN 1.183 nan 8.290 nan 0.000 0.539 684 D N 1.693 122.109 120.400 0.027 0.000 2.479 684 D HA 0.197 4.837 4.640 -0.001 0.000 0.257 684 D C 1.211 177.519 176.300 0.013 0.000 1.230 684 D CA -0.152 53.856 54.000 0.014 0.000 0.912 684 D CB 0.261 41.072 40.800 0.019 0.000 1.130 684 D HN 0.034 nan 8.370 nan 0.000 0.515 685 K N 1.447 121.828 120.400 -0.032 0.000 2.585 685 K HA -0.049 4.270 4.320 -0.001 0.000 0.194 685 K C 0.560 177.133 176.600 -0.044 0.000 1.037 685 K CA 0.472 56.704 56.287 -0.091 0.000 0.964 685 K CB 0.242 32.648 32.500 -0.158 0.000 0.787 685 K HN 0.588 nan 8.250 nan 0.000 0.488 686 D N 0.088 120.489 120.400 0.003 0.000 2.277 686 D HA -0.074 4.565 4.640 -0.001 0.000 0.209 686 D C 1.781 178.117 176.300 0.059 0.000 0.970 686 D CA 0.493 54.505 54.000 0.019 0.000 0.874 686 D CB 0.203 41.008 40.800 0.008 0.000 0.982 686 D HN 0.096 nan 8.370 nan 0.000 0.504 687 E N 0.625 120.873 120.200 0.080 0.000 2.006 687 E HA -0.106 4.244 4.350 -0.001 0.000 0.192 687 E C 1.828 178.516 176.600 0.148 0.000 0.993 687 E CA 0.673 57.140 56.400 0.111 0.000 0.808 687 E CB -0.560 29.211 29.700 0.118 0.000 0.764 687 E HN 0.301 nan 8.360 nan 0.000 0.449 688 F N 0.482 120.402 119.950 -0.049 0.000 2.147 688 F HA -0.307 4.220 4.527 -0.001 0.000 0.301 688 F C 1.948 177.694 175.800 -0.089 0.000 1.084 688 F CA 1.371 59.309 58.000 -0.103 0.000 1.268 688 F CB -0.146 38.808 39.000 -0.077 0.000 1.009 688 F HN 0.133 nan 8.300 nan 0.000 0.486 689 A N 0.830 123.870 122.820 0.368 0.000 1.859 689 A HA -0.275 4.045 4.320 -0.001 0.000 0.217 689 A C 2.202 179.856 177.584 0.117 0.000 1.198 689 A CA 2.226 54.400 52.037 0.227 0.000 0.629 689 A CB -0.872 18.182 19.000 0.090 0.000 0.830 689 A HN 0.495 nan 8.150 nan 0.000 0.446 690 K N -0.482 119.963 120.400 0.075 0.000 2.009 690 K HA -0.208 4.112 4.320 -0.001 0.000 0.210 690 K C 2.300 178.914 176.600 0.024 0.000 1.049 690 K CA 1.755 58.069 56.287 0.045 0.000 0.929 690 K CB -0.246 32.289 32.500 0.058 0.000 0.714 690 K HN 0.546 nan 8.250 nan 0.000 0.440 691 K N 1.455 121.805 120.400 -0.084 0.000 2.000 691 K HA -0.288 4.032 4.320 -0.001 0.000 0.218 691 K C 2.110 178.558 176.600 -0.254 0.000 1.053 691 K CA 2.128 58.191 56.287 -0.374 0.000 0.946 691 K CB -0.153 31.765 32.500 -0.971 0.000 0.723 691 K HN -0.062 nan 8.250 nan 0.000 0.446 692 E N 0.407 120.427 120.200 -0.299 0.000 2.187 692 E HA -0.188 4.162 4.350 -0.001 0.000 0.199 692 E C 1.913 178.464 176.600 -0.081 0.000 1.004 692 E CA 1.660 57.936 56.400 -0.208 0.000 0.813 692 E CB -0.335 29.321 29.700 -0.073 0.000 0.736 692 E HN 0.321 nan 8.360 nan 0.000 0.468 693 S N -1.430 114.249 115.700 -0.035 0.000 2.414 693 S HA -0.066 4.404 4.470 -0.001 0.000 0.227 693 S C 1.897 176.495 174.600 -0.004 0.000 1.022 693 S CA 0.881 59.066 58.200 -0.025 0.000 0.958 693 S CB -0.166 63.025 63.200 -0.015 0.000 0.797 693 S HN 0.318 nan 8.310 nan 0.000 0.493 694 V N 0.075 120.038 119.914 0.082 0.000 2.488 694 V HA 0.142 4.262 4.120 -0.001 0.000 0.246 694 V C 2.137 178.327 176.094 0.159 0.000 1.046 694 V CA 1.744 64.187 62.300 0.240 0.000 1.053 694 V CB -0.931 31.135 31.823 0.405 0.000 0.679 694 V HN 0.371 nan 8.190 nan 0.000 0.458 695 K N 0.341 120.777 120.400 0.059 0.000 2.286 695 K HA -0.200 4.120 4.320 -0.001 0.000 0.203 695 K C 2.192 178.760 176.600 -0.054 0.000 1.045 695 K CA 1.674 57.968 56.287 0.013 0.000 0.935 695 K CB -0.113 32.350 32.500 -0.060 0.000 0.737 695 K HN 0.566 nan 8.250 nan 0.000 0.460 696 K N -0.010 120.315 120.400 -0.125 0.000 2.116 696 K HA -0.031 4.288 4.320 -0.001 0.000 0.203 696 K C 2.024 178.294 176.600 -0.549 0.000 1.052 696 K CA 1.008 57.104 56.287 -0.319 0.000 0.952 696 K CB 0.026 32.335 32.500 -0.318 0.000 0.729 696 K HN 0.133 nan 8.250 nan 0.000 0.446 697 I N 1.119 121.486 120.570 -0.339 0.000 2.233 697 I HA -0.170 4.000 4.170 -0.001 0.000 0.243 697 I C 1.905 177.877 176.117 -0.240 0.000 1.093 697 I CA 0.786 61.864 61.300 -0.371 0.000 1.380 697 I CB -0.234 37.582 38.000 -0.306 0.000 1.067 697 I HN 0.012 nan 8.210 nan 0.000 0.413 698 A N 0.524 123.330 122.820 -0.025 0.000 2.215 698 A HA 0.175 4.494 4.320 -0.001 0.000 0.208 698 A C 1.791 179.408 177.584 0.056 0.000 1.296 698 A CA 1.212 53.324 52.037 0.125 0.000 0.918 698 A CB -1.231 17.943 19.000 0.290 0.000 0.806 698 A HN 0.535 nan 8.150 nan 0.000 0.490 699 G N -2.035 106.751 108.800 -0.023 0.000 2.849 699 G HA2 0.130 4.089 3.960 -0.001 0.000 0.202 699 G HA3 0.130 4.089 3.960 -0.001 0.000 0.202 699 G C 1.244 176.242 174.900 0.163 0.000 1.138 699 G CA 0.368 45.494 45.100 0.043 0.000 0.692 699 G HN 0.487 nan 8.290 nan 0.000 0.786 700 Y N 1.116 121.413 120.300 -0.005 0.000 2.070 700 Y HA -0.151 4.399 4.550 -0.000 0.000 0.280 700 Y C 2.895 178.806 175.900 0.018 0.000 1.148 700 Y CA 0.711 58.801 58.100 -0.017 0.000 1.125 700 Y CB -0.334 38.080 38.460 -0.076 0.000 0.975 700 Y HN 0.019 nan 8.280 nan 0.000 0.492 701 L N -0.484 120.826 121.223 0.145 0.000 2.089 701 L HA -0.314 4.026 4.340 -0.001 0.000 0.213 701 L C 2.737 179.749 176.870 0.236 0.000 1.079 701 L CA 1.559 56.469 54.840 0.115 0.000 0.758 701 L CB -0.671 41.387 42.059 -0.001 0.000 0.891 701 L HN 0.201 nan 8.230 nan 0.000 0.433 702 S N -0.527 115.287 115.700 0.189 0.000 2.402 702 S HA -0.172 4.298 4.470 -0.001 0.000 0.229 702 S C 1.560 176.283 174.600 0.205 0.000 1.021 702 S CA 1.472 59.789 58.200 0.194 0.000 0.974 702 S CB -0.189 63.091 63.200 0.133 0.000 0.800 702 S HN 0.423 nan 8.310 nan 0.000 0.484 703 D N -0.211 120.299 120.400 0.182 0.000 2.183 703 D HA -0.035 4.605 4.640 -0.001 0.000 0.203 703 D C 1.489 177.848 176.300 0.098 0.000 0.969 703 D CA 0.773 54.848 54.000 0.125 0.000 0.842 703 D CB -0.583 40.281 40.800 0.107 0.000 0.957 703 D HN 0.571 nan 8.370 nan 0.000 0.484 704 Y N 0.900 121.199 120.300 -0.001 0.000 2.081 704 Y HA -0.277 4.273 4.550 -0.000 0.000 0.280 704 Y C 0.571 176.348 175.900 -0.205 0.000 1.163 704 Y CA 1.529 59.539 58.100 -0.149 0.000 1.135 704 Y CB -0.408 37.893 38.460 -0.265 0.000 0.970 704 Y HN -0.065 nan 8.280 nan 0.000 0.498 705 Y N 1.611 122.040 120.300 0.215 0.000 2.667 705 Y HA 0.143 4.692 4.550 -0.001 0.000 0.340 705 Y C 0.074 175.993 175.900 0.031 0.000 1.303 705 Y CA -0.574 57.596 58.100 0.117 0.000 1.769 705 Y CB -0.681 37.875 38.460 0.160 0.000 1.804 705 Y HN 0.075 nan 8.280 nan 0.000 0.451 706 N N -0.004 118.723 118.700 0.045 0.000 2.430 706 N HA 0.125 4.865 4.740 -0.001 0.000 0.292 706 N C 0.307 175.813 175.510 -0.006 0.000 1.051 706 N CA -0.076 52.980 53.050 0.010 0.000 0.917 706 N CB 1.706 40.155 38.487 -0.062 0.000 1.164 706 N HN 0.172 nan 8.380 nan 0.000 0.484 707 S N 1.615 117.329 115.700 0.024 0.000 2.593 707 S HA 0.127 4.597 4.470 -0.001 0.000 0.217 707 S C 1.154 175.817 174.600 0.105 0.000 0.966 707 S CA 0.010 58.245 58.200 0.058 0.000 0.914 707 S CB 0.152 63.389 63.200 0.062 0.000 0.776 707 S HN 0.689 nan 8.310 nan 0.000 0.523 708 A N 1.249 124.036 122.820 -0.055 0.000 2.308 708 A HA 0.227 4.547 4.320 -0.001 0.000 0.217 708 A C 1.369 178.644 177.584 -0.514 0.000 1.216 708 A CA -0.081 51.815 52.037 -0.236 0.000 0.864 708 A CB -0.392 18.464 19.000 -0.240 0.000 0.902 708 A HN 0.487 nan 8.150 nan 0.000 0.499 709 N N 0.272 118.751 118.700 -0.368 0.000 2.635 709 N HA -0.163 4.576 4.740 -0.001 0.000 0.191 709 N C 1.461 176.788 175.510 -0.306 0.000 1.155 709 N CA 0.741 53.502 53.050 -0.483 0.000 0.927 709 N CB -0.146 38.199 38.487 -0.237 0.000 0.976 709 N HN 0.833 nan 8.380 nan 0.000 0.448 710 H N 0.669 119.615 119.070 -0.206 0.000 2.436 710 H HA -0.034 4.522 4.556 -0.001 0.000 0.294 710 H C 1.908 177.225 175.328 -0.018 0.000 1.048 710 H CA 0.579 56.582 56.048 -0.075 0.000 1.353 710 H CB -0.483 29.252 29.762 -0.045 0.000 1.414 710 H HN 0.331 nan 8.280 nan 0.000 0.536 711 I N -2.040 118.213 120.570 -0.528 0.000 3.492 711 I HA 0.161 4.331 4.170 -0.001 0.000 0.305 711 I C -0.245 176.059 176.117 0.312 0.000 1.256 711 I CA 0.245 61.449 61.300 -0.160 0.000 1.244 711 I CB -0.757 37.094 38.000 -0.248 0.000 1.001 711 I HN -0.042 nan 8.210 nan 0.000 0.536 712 F N 0.469 120.385 119.950 -0.057 0.000 2.631 712 F HA 0.542 5.069 4.527 -0.001 0.000 0.350 712 F C 0.887 176.693 175.800 0.008 0.000 1.080 712 F CA -1.351 56.637 58.000 -0.020 0.000 1.026 712 F CB 1.759 40.747 39.000 -0.019 0.000 1.347 712 F HN 0.042 nan 8.300 nan 0.000 0.501 713 S N -0.201 115.620 115.700 0.203 0.000 2.722 713 S HA 0.251 4.720 4.470 -0.001 0.000 0.292 713 S C 0.313 174.984 174.600 0.118 0.000 1.135 713 S CA -0.669 57.601 58.200 0.118 0.000 1.003 713 S CB 1.947 65.182 63.200 0.058 0.000 1.067 713 S HN 0.534 nan 8.310 nan 0.000 0.546 714 Q N 0.911 120.766 119.800 0.090 0.000 2.002 714 Q HA -0.109 4.231 4.340 -0.001 0.000 0.204 714 Q C 2.085 178.137 176.000 0.086 0.000 0.988 714 Q CA 2.333 58.188 55.803 0.088 0.000 0.843 714 Q CB -0.861 27.924 28.738 0.079 0.000 0.908 714 Q HN 0.972 nan 8.270 nan 0.000 0.420 715 E N 0.580 120.820 120.200 0.067 0.000 2.086 715 E HA -0.295 4.055 4.350 -0.001 0.000 0.205 715 E C 1.813 178.454 176.600 0.069 0.000 1.027 715 E CA 2.260 58.694 56.400 0.056 0.000 0.830 715 E CB -0.237 29.479 29.700 0.026 0.000 0.751 715 E HN 0.257 nan 8.360 nan 0.000 0.456 716 K N 0.166 120.602 120.400 0.061 0.000 2.025 716 K HA -0.146 4.174 4.320 -0.001 0.000 0.207 716 K C 2.088 178.782 176.600 0.156 0.000 1.049 716 K CA 1.668 57.996 56.287 0.069 0.000 0.933 716 K CB -0.054 32.413 32.500 -0.055 0.000 0.714 716 K HN 0.045 nan 8.250 nan 0.000 0.438 717 K N 0.421 120.928 120.400 0.177 0.000 2.015 717 K HA -0.257 4.062 4.320 -0.001 0.000 0.220 717 K C 2.140 178.791 176.600 0.086 0.000 1.055 717 K CA 2.392 58.764 56.287 0.142 0.000 0.951 717 K CB -0.329 32.224 32.500 0.087 0.000 0.725 717 K HN 0.228 nan 8.250 nan 0.000 0.449 718 R N 1.312 121.867 120.500 0.091 0.000 2.096 718 R HA -0.177 4.163 4.340 -0.001 0.000 0.240 718 R C 2.331 178.742 176.300 0.186 0.000 1.139 718 R CA 1.649 57.811 56.100 0.104 0.000 0.952 718 R CB -0.444 29.927 30.300 0.118 0.000 0.854 718 R HN 0.247 nan 8.270 nan 0.000 0.436 719 K N 0.791 121.333 120.400 0.236 0.000 1.963 719 K HA -0.143 4.177 4.320 -0.001 0.000 0.216 719 K C 2.154 179.010 176.600 0.427 0.000 1.045 719 K CA 1.411 57.947 56.287 0.414 0.000 0.954 719 K CB -0.492 32.207 32.500 0.333 0.000 0.732 719 K HN -0.001 nan 8.250 nan 0.000 0.442 720 I N 1.499 122.268 120.570 0.332 0.000 2.290 720 I HA -0.368 3.802 4.170 -0.001 0.000 0.253 720 I C 1.827 178.000 176.117 0.093 0.000 1.112 720 I CA 1.640 63.074 61.300 0.223 0.000 1.377 720 I CB -0.031 38.122 38.000 0.254 0.000 1.060 720 I HN 0.098 nan 8.210 nan 0.000 0.428 721 S N -0.036 115.686 115.700 0.038 0.000 2.356 721 S HA 0.075 4.545 4.470 -0.001 0.000 0.219 721 S C 1.957 176.593 174.600 0.059 0.000 1.036 721 S CA 1.109 59.228 58.200 -0.134 0.000 0.965 721 S CB -0.289 62.687 63.200 -0.373 0.000 0.864 721 S HN 0.438 nan 8.310 nan 0.000 0.471 722 I N 0.882 121.544 120.570 0.154 0.000 2.236 722 I HA -0.251 3.919 4.170 -0.001 0.000 0.249 722 I C 2.101 178.250 176.117 0.054 0.000 1.102 722 I CA 1.390 62.805 61.300 0.191 0.000 1.365 722 I CB -0.279 37.936 38.000 0.359 0.000 1.051 722 I HN 0.208 nan 8.210 nan 0.000 0.420 723 F N 1.774 121.608 119.950 -0.194 0.000 2.039 723 F HA -0.175 4.352 4.527 -0.000 0.000 0.294 723 F C 2.725 178.384 175.800 -0.233 0.000 1.130 723 F CA 1.553 59.312 58.000 -0.401 0.000 1.189 723 F CB -0.425 38.274 39.000 -0.501 0.000 0.983 723 F HN -0.124 nan 8.300 nan 0.000 0.471 724 R N 0.290 120.702 120.500 -0.146 0.000 2.140 724 R HA -0.214 4.126 4.340 -0.001 0.000 0.250 724 R C 2.395 178.597 176.300 -0.163 0.000 1.150 724 R CA 1.386 57.370 56.100 -0.193 0.000 0.966 724 R CB -1.794 28.484 30.300 -0.037 0.000 0.869 724 R HN 0.514 nan 8.270 nan 0.000 0.445 725 G N 1.397 110.184 108.800 -0.021 0.000 2.433 725 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 725 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 725 G C 1.604 176.424 174.900 -0.132 0.000 1.186 725 G CA 0.667 45.748 45.100 -0.032 0.000 0.779 725 G HN 0.216 nan 8.290 nan 0.000 0.543 726 I N 0.455 120.907 120.570 -0.196 0.000 2.208 726 I HA -0.268 3.902 4.170 -0.001 0.000 0.245 726 I C 3.068 178.972 176.117 -0.355 0.000 1.097 726 I CA 1.255 62.431 61.300 -0.206 0.000 1.363 726 I CB -0.365 37.501 38.000 -0.224 0.000 1.051 726 I HN 0.264 nan 8.210 nan 0.000 0.413 727 Q N 0.666 120.117 119.800 -0.583 0.000 2.029 727 Q HA -0.301 4.038 4.340 -0.001 0.000 0.209 727 Q C 2.485 178.410 176.000 -0.124 0.000 0.999 727 Q CA 2.238 57.636 55.803 -0.674 0.000 0.857 727 Q CB -0.446 27.576 28.738 -1.193 0.000 0.926 727 Q HN 0.635 nan 8.270 nan 0.000 0.415 728 A N 0.585 123.466 122.820 0.102 0.000 1.851 728 A HA -0.258 4.062 4.320 -0.001 0.000 0.216 728 A C 1.952 179.534 177.584 -0.003 0.000 1.195 728 A CA 1.716 53.881 52.037 0.213 0.000 0.622 728 A CB -1.326 17.698 19.000 0.040 0.000 0.831 728 A HN 0.525 nan 8.150 nan 0.000 0.444 729 Y N 1.421 121.610 120.300 -0.185 0.000 2.132 729 Y HA -0.335 4.215 4.550 -0.000 0.000 0.280 729 Y C 2.429 178.198 175.900 -0.218 0.000 1.193 729 Y CA 2.369 60.340 58.100 -0.215 0.000 1.157 729 Y CB -0.280 38.046 38.460 -0.224 0.000 0.966 729 Y HN 0.523 nan 8.280 nan 0.000 0.511 730 N N 0.190 118.813 118.700 -0.129 0.000 2.022 730 N HA -0.236 4.504 4.740 -0.001 0.000 0.194 730 N C 1.765 177.192 175.510 -0.139 0.000 1.057 730 N CA 1.750 54.694 53.050 -0.177 0.000 0.849 730 N CB -0.427 37.726 38.487 -0.557 0.000 1.044 730 N HN 0.376 nan 8.380 nan 0.000 0.424 731 E N 0.578 120.726 120.200 -0.087 0.000 2.333 731 E HA -0.148 4.202 4.350 -0.001 0.000 0.200 731 E C 1.908 178.431 176.600 -0.128 0.000 1.010 731 E CA 0.412 56.763 56.400 -0.082 0.000 0.841 731 E CB -0.079 29.553 29.700 -0.113 0.000 0.757 731 E HN 0.501 nan 8.360 nan 0.000 0.508 732 I N -0.152 120.315 120.570 -0.172 0.000 2.400 732 I HA -0.141 4.029 4.170 -0.001 0.000 0.248 732 I C 2.318 178.291 176.117 -0.240 0.000 1.109 732 I CA 0.691 61.882 61.300 -0.181 0.000 1.425 732 I CB -1.079 36.803 38.000 -0.196 0.000 1.094 732 I HN 0.049 nan 8.210 nan 0.000 0.425 733 E N 1.634 121.665 120.200 -0.281 0.000 2.118 733 E HA -0.263 4.087 4.350 -0.001 0.000 0.195 733 E C 1.901 178.438 176.600 -0.105 0.000 0.992 733 E CA 1.704 57.992 56.400 -0.186 0.000 0.804 733 E CB -0.250 29.398 29.700 -0.086 0.000 0.741 733 E HN 0.436 nan 8.360 nan 0.000 0.458 734 N N -0.868 117.777 118.700 -0.091 0.000 2.043 734 N HA -0.165 4.575 4.740 -0.001 0.000 0.193 734 N C 1.510 176.961 175.510 -0.099 0.000 1.037 734 N CA 2.137 55.149 53.050 -0.062 0.000 0.851 734 N CB -0.095 38.365 38.487 -0.045 0.000 1.027 734 N HN 0.081 nan 8.380 nan 0.000 0.422 735 V N 0.249 120.062 119.914 -0.169 0.000 2.719 735 V HA -0.039 4.081 4.120 -0.001 0.000 0.252 735 V C 2.066 177.992 176.094 -0.279 0.000 1.065 735 V CA 0.749 62.908 62.300 -0.235 0.000 1.086 735 V CB -0.474 31.137 31.823 -0.354 0.000 0.700 735 V HN 0.341 nan 8.190 nan 0.000 0.467 736 L N -0.028 121.034 121.223 -0.269 0.000 2.275 736 L HA 0.020 4.360 4.340 -0.001 0.000 0.215 736 L C 1.587 178.398 176.870 -0.099 0.000 1.119 736 L CA 1.700 56.427 54.840 -0.189 0.000 0.790 736 L CB -0.326 41.655 42.059 -0.130 0.000 0.919 736 L HN 0.102 nan 8.230 nan 0.000 0.443 737 K N -0.577 119.771 120.400 -0.086 0.000 3.095 737 K HA 0.291 4.611 4.320 -0.001 0.000 0.220 737 K C 0.170 176.741 176.600 -0.047 0.000 1.216 737 K CA 0.010 56.270 56.287 -0.044 0.000 1.167 737 K CB 0.478 32.965 32.500 -0.021 0.000 1.199 737 K HN 0.157 nan 8.250 nan 0.000 0.458 738 S N 0.047 115.709 115.700 -0.064 0.000 2.816 738 S HA 0.359 4.829 4.470 -0.001 0.000 0.253 738 S C 0.634 175.214 174.600 -0.034 0.000 1.055 738 S CA -0.383 57.786 58.200 -0.052 0.000 1.032 738 S CB 1.238 64.394 63.200 -0.074 0.000 1.270 738 S HN 0.309 nan 8.310 nan 0.000 0.587 739 K N 0.054 120.436 120.400 -0.030 0.000 2.959 739 K HA 0.250 4.569 4.320 -0.001 0.000 0.336 739 K C -0.445 176.143 176.600 -0.020 0.000 0.984 739 K CA -0.189 56.086 56.287 -0.018 0.000 1.325 739 K CB -0.202 32.291 32.500 -0.012 0.000 1.390 739 K HN 0.346 nan 8.250 nan 0.000 0.615 740 Q N 2.142 121.933 119.800 -0.015 0.000 2.837 740 Q HA 0.156 4.495 4.340 -0.001 0.000 0.235 740 Q C -0.610 175.377 176.000 -0.023 0.000 1.348 740 Q CA 0.194 55.990 55.803 -0.011 0.000 0.990 740 Q CB -0.818 27.916 28.738 -0.006 0.000 1.570 740 Q HN 0.350 nan 8.270 nan 0.000 0.575 741 I N -1.238 119.318 120.570 -0.025 0.000 2.322 741 I HA 0.441 4.611 4.170 -0.001 0.000 0.292 741 I C 0.555 176.684 176.117 0.020 0.000 1.060 741 I CA -1.031 60.246 61.300 -0.039 0.000 1.309 741 I CB 0.658 38.629 38.000 -0.048 0.000 1.415 741 I HN 0.198 nan 8.210 nan 0.000 0.492 742 A N 9.077 131.898 122.820 0.003 0.000 2.622 742 A HA 0.012 4.332 4.320 -0.001 0.000 0.235 742 A C -0.902 176.780 177.584 0.162 0.000 1.013 742 A CA -0.406 51.681 52.037 0.082 0.000 0.765 742 A CB -0.518 18.553 19.000 0.118 0.000 0.921 742 A HN 0.804 nan 8.150 nan 0.000 0.506 743 P HA -0.194 nan 4.420 nan 0.000 0.225 743 P C 0.920 178.318 177.300 0.164 0.000 1.148 743 P CA 1.512 64.689 63.100 0.128 0.000 0.779 743 P CB 0.100 31.850 31.700 0.083 0.000 0.780 744 E N -0.116 120.196 120.200 0.186 0.000 2.047 744 E HA -0.204 4.146 4.350 -0.001 0.000 0.191 744 E C 2.029 178.744 176.600 0.192 0.000 0.987 744 E CA 1.279 57.765 56.400 0.143 0.000 0.799 744 E CB -1.454 28.305 29.700 0.099 0.000 0.752 744 E HN 0.283 nan 8.360 nan 0.000 0.449 745 Y N 2.003 122.403 120.300 0.166 0.000 2.242 745 Y HA -0.091 4.458 4.550 -0.000 0.000 0.291 745 Y C 2.610 178.795 175.900 0.475 0.000 1.137 745 Y CA 1.189 59.487 58.100 0.331 0.000 1.181 745 Y CB -0.333 38.358 38.460 0.385 0.000 0.989 745 Y HN 0.000 nan 8.280 nan 0.000 0.527 746 K N 1.056 121.735 120.400 0.465 0.000 2.034 746 K HA -0.280 4.040 4.320 -0.001 0.000 0.214 746 K C 1.423 178.211 176.600 0.313 0.000 1.051 746 K CA 2.256 58.742 56.287 0.331 0.000 0.931 746 K CB -0.596 32.017 32.500 0.188 0.000 0.715 746 K HN 0.526 nan 8.250 nan 0.000 0.446 747 N N -0.661 118.188 118.700 0.247 0.000 2.043 747 N HA -0.221 4.518 4.740 -0.001 0.000 0.193 747 N C 1.935 177.598 175.510 0.255 0.000 1.037 747 N CA 1.401 54.569 53.050 0.197 0.000 0.851 747 N CB -0.366 38.200 38.487 0.130 0.000 1.027 747 N HN 0.200 nan 8.380 nan 0.000 0.422 748 Y N 1.599 121.963 120.300 0.107 0.000 1.993 748 Y HA -0.296 4.254 4.550 -0.001 0.000 0.267 748 Y C 1.914 177.889 175.900 0.125 0.000 1.155 748 Y CA 1.558 59.695 58.100 0.062 0.000 1.105 748 Y CB -1.027 37.347 38.460 -0.143 0.000 0.960 748 Y HN -0.017 nan 8.280 nan 0.000 0.486 749 F N 0.580 120.556 119.950 0.044 0.000 2.184 749 F HA -0.342 4.185 4.527 -0.001 0.000 0.301 749 F C 2.474 178.204 175.800 -0.116 0.000 1.076 749 F CA 1.901 59.831 58.000 -0.118 0.000 1.295 749 F CB -0.611 38.392 39.000 0.005 0.000 1.026 749 F HN 0.222 nan 8.300 nan 0.000 0.494 750 Q N -0.882 119.017 119.800 0.165 0.000 2.119 750 Q HA -0.227 4.112 4.340 -0.001 0.000 0.201 750 Q C 2.093 178.130 176.000 0.061 0.000 0.972 750 Q CA 1.618 57.482 55.803 0.102 0.000 0.847 750 Q CB -1.119 27.697 28.738 0.130 0.000 0.903 750 Q HN 0.591 nan 8.270 nan 0.000 0.433 751 Y N 1.526 121.794 120.300 -0.052 0.000 2.109 751 Y HA -0.181 4.369 4.550 -0.001 0.000 0.285 751 Y C 2.116 177.925 175.900 -0.152 0.000 1.131 751 Y CA 1.298 59.354 58.100 -0.074 0.000 1.121 751 Y CB -0.659 37.782 38.460 -0.031 0.000 0.987 751 Y HN -0.026 nan 8.280 nan 0.000 0.495 752 L N 0.461 121.338 121.223 -0.576 0.000 2.021 752 L HA -0.341 3.998 4.340 -0.001 0.000 0.215 752 L C 2.543 179.174 176.870 -0.399 0.000 1.074 752 L CA 2.195 56.653 54.840 -0.637 0.000 0.760 752 L CB -0.778 40.909 42.059 -0.620 0.000 0.889 752 L HN 0.219 nan 8.230 nan 0.000 0.433 753 K N -0.024 120.226 120.400 -0.251 0.000 2.034 753 K HA -0.303 4.017 4.320 -0.001 0.000 0.214 753 K C 2.071 178.635 176.600 -0.059 0.000 1.051 753 K CA 2.201 58.420 56.287 -0.112 0.000 0.931 753 K CB -0.265 32.180 32.500 -0.092 0.000 0.715 753 K HN 0.311 nan 8.250 nan 0.000 0.446 754 E N 0.561 120.691 120.200 -0.117 0.000 2.097 754 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 754 E C 2.039 178.506 176.600 -0.222 0.000 1.000 754 E CA 1.122 57.445 56.400 -0.129 0.000 0.804 754 E CB 0.199 29.851 29.700 -0.079 0.000 0.740 754 E HN 0.155 nan 8.360 nan 0.000 0.454 755 R N 0.472 120.782 120.500 -0.317 0.000 2.109 755 R HA -0.178 4.161 4.340 -0.001 0.000 0.227 755 R C 2.466 178.586 176.300 -0.301 0.000 1.132 755 R CA 1.600 57.512 56.100 -0.313 0.000 0.907 755 R CB -1.058 29.003 30.300 -0.397 0.000 0.825 755 R HN 0.334 nan 8.270 nan 0.000 0.432 756 I N 1.111 121.493 120.570 -0.313 0.000 2.121 756 I HA -0.363 3.807 4.170 -0.001 0.000 0.243 756 I C 2.328 178.142 176.117 -0.505 0.000 1.047 756 I CA 2.077 63.174 61.300 -0.338 0.000 1.308 756 I CB -1.804 36.075 38.000 -0.202 0.000 1.015 756 I HN 0.257 nan 8.210 nan 0.000 0.410 757 T N 1.778 115.957 114.554 -0.625 0.000 2.580 757 T HA -0.193 4.157 4.350 -0.001 0.000 0.265 757 T C 1.734 176.124 174.700 -0.516 0.000 1.063 757 T CA 1.906 63.442 62.100 -0.940 0.000 1.170 757 T CB -0.470 68.034 68.868 -0.605 0.000 0.863 757 T HN 0.340 nan 8.240 nan 0.000 0.418 758 N N 0.931 119.448 118.700 -0.306 0.000 2.061 758 N HA -0.168 4.571 4.740 -0.001 0.000 0.193 758 N C 2.054 177.463 175.510 -0.169 0.000 1.030 758 N CA 1.580 54.520 53.050 -0.183 0.000 0.856 758 N CB -0.543 37.865 38.487 -0.132 0.000 1.023 758 N HN 0.428 nan 8.380 nan 0.000 0.424 759 Q N 1.258 120.934 119.800 -0.206 0.000 1.975 759 Q HA -0.077 4.263 4.340 -0.001 0.000 0.205 759 Q C 2.024 177.954 176.000 -0.118 0.000 0.990 759 Q CA 1.659 57.365 55.803 -0.162 0.000 0.845 759 Q CB -0.446 28.157 28.738 -0.226 0.000 0.913 759 Q HN 0.146 nan 8.270 nan 0.000 0.420 760 V N 0.736 120.548 119.914 -0.170 0.000 2.380 760 V HA -0.290 3.830 4.120 -0.001 0.000 0.251 760 V C 2.404 178.502 176.094 0.006 0.000 1.063 760 V CA 2.063 64.329 62.300 -0.058 0.000 1.055 760 V CB -0.846 30.926 31.823 -0.084 0.000 0.657 760 V HN 0.430 nan 8.190 nan 0.000 0.455 761 Q N 0.141 119.910 119.800 -0.052 0.000 2.020 761 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 761 Q C 2.074 178.097 176.000 0.037 0.000 0.982 761 Q CA 2.152 57.966 55.803 0.020 0.000 0.838 761 Q CB -0.702 28.031 28.738 -0.009 0.000 0.899 761 Q HN 0.592 nan 8.270 nan 0.000 0.423 762 L N -0.348 120.874 121.223 -0.001 0.000 2.043 762 L HA -0.153 4.187 4.340 -0.001 0.000 0.212 762 L C 1.912 178.772 176.870 -0.017 0.000 1.075 762 L CA 1.771 56.610 54.840 -0.002 0.000 0.752 762 L CB -0.482 41.547 42.059 -0.051 0.000 0.891 762 L HN 0.360 nan 8.230 nan 0.000 0.432 763 L N -1.340 119.880 121.223 -0.006 0.000 2.275 763 L HA -0.168 4.172 4.340 -0.001 0.000 0.215 763 L C 2.387 179.322 176.870 0.108 0.000 1.119 763 L CA 0.808 55.661 54.840 0.022 0.000 0.790 763 L CB -0.345 41.757 42.059 0.073 0.000 0.919 763 L HN 0.389 nan 8.230 nan 0.000 0.443 764 L N -0.720 120.576 121.223 0.123 0.000 2.034 764 L HA -0.143 4.196 4.340 -0.001 0.000 0.203 764 L C 2.798 179.753 176.870 0.141 0.000 1.074 764 L CA 1.697 56.619 54.840 0.137 0.000 0.748 764 L CB -0.961 41.178 42.059 0.134 0.000 0.905 764 L HN 0.365 nan 8.230 nan 0.000 0.439 765 T N -3.596 111.045 114.554 0.145 0.000 2.802 765 T HA -0.300 4.049 4.350 -0.001 0.000 0.269 765 T C 1.624 176.444 174.700 0.201 0.000 1.062 765 T CA 1.729 63.920 62.100 0.152 0.000 1.133 765 T CB -0.650 68.316 68.868 0.163 0.000 0.852 765 T HN 0.298 nan 8.240 nan 0.000 0.485 766 H N 0.384 119.481 119.070 0.045 0.000 2.524 766 H HA 0.260 4.816 4.556 -0.000 0.000 0.282 766 H C 2.267 177.617 175.328 0.036 0.000 1.016 766 H CA 1.106 57.178 56.048 0.041 0.000 1.270 766 H CB -0.024 29.766 29.762 0.046 0.000 1.394 766 H HN 0.597 nan 8.280 nan 0.000 0.568 767 Q N -0.632 119.246 119.800 0.129 0.000 2.453 767 Q HA 0.163 4.503 4.340 -0.001 0.000 0.192 767 Q C -0.327 175.695 176.000 0.037 0.000 0.965 767 Q CA -0.119 55.726 55.803 0.070 0.000 0.836 767 Q CB 0.888 29.670 28.738 0.074 0.000 1.069 767 Q HN -0.026 nan 8.270 nan 0.000 0.594 768 K N 0.674 121.095 120.400 0.034 0.000 2.292 768 K HA 0.283 4.603 4.320 -0.001 0.000 0.257 768 K C -0.984 175.636 176.600 0.032 0.000 0.940 768 K CA -0.164 56.133 56.287 0.016 0.000 0.811 768 K CB 1.917 34.413 32.500 -0.006 0.000 1.120 768 K HN 0.180 nan 8.250 nan 0.000 0.428 769 S N 2.156 117.874 115.700 0.030 0.000 2.751 769 S HA 0.098 4.568 4.470 -0.001 0.000 0.247 769 S C 0.286 174.908 174.600 0.036 0.000 1.103 769 S CA -0.373 57.852 58.200 0.042 0.000 1.090 769 S CB -0.379 62.848 63.200 0.045 0.000 0.928 769 S HN 0.660 nan 8.310 nan 0.000 0.502 770 N N 0.738 119.455 118.700 0.028 0.000 2.254 770 N HA 0.159 4.898 4.740 -0.001 0.000 0.190 770 N C -0.246 175.283 175.510 0.032 0.000 1.107 770 N CA -0.100 52.965 53.050 0.025 0.000 0.869 770 N CB 0.249 38.744 38.487 0.013 0.000 0.983 770 N HN 0.355 nan 8.380 nan 0.000 0.487 771 I N 2.233 122.827 120.570 0.040 0.000 2.416 771 I HA 0.168 4.337 4.170 -0.001 0.000 0.288 771 I C 0.016 176.181 176.117 0.079 0.000 1.051 771 I CA 0.102 61.434 61.300 0.053 0.000 1.375 771 I CB 1.027 39.060 38.000 0.055 0.000 1.407 771 I HN 0.037 nan 8.210 nan 0.000 0.516 772 E N 4.308 124.555 120.200 0.079 0.000 2.166 772 E HA 0.150 4.499 4.350 -0.001 0.000 0.275 772 E C 0.418 177.095 176.600 0.129 0.000 0.941 772 E CA -0.569 55.894 56.400 0.105 0.000 0.784 772 E CB 1.671 31.420 29.700 0.082 0.000 1.115 772 E HN 0.438 nan 8.360 nan 0.000 0.399 773 F N 4.575 124.536 119.950 0.019 0.000 2.063 773 F HA -0.384 4.143 4.527 -0.001 0.000 0.297 773 F C 2.185 177.999 175.800 0.024 0.000 1.099 773 F CA 2.340 60.334 58.000 -0.011 0.000 1.220 773 F CB -0.033 38.900 39.000 -0.111 0.000 0.972 773 F HN 0.474 nan 8.300 nan 0.000 0.487 774 K N 0.276 120.658 120.400 -0.030 0.000 2.032 774 K HA -0.253 4.066 4.320 -0.001 0.000 0.218 774 K C 2.187 178.743 176.600 -0.074 0.000 1.054 774 K CA 2.434 58.679 56.287 -0.070 0.000 0.941 774 K CB -0.631 31.905 32.500 0.059 0.000 0.720 774 K HN 0.465 nan 8.250 nan 0.000 0.449 775 L N 0.800 122.012 121.223 -0.018 0.000 1.932 775 L HA -0.256 4.083 4.340 -0.001 0.000 0.217 775 L C 2.597 179.458 176.870 -0.014 0.000 1.077 775 L CA 1.566 56.403 54.840 -0.006 0.000 0.765 775 L CB -0.710 41.358 42.059 0.015 0.000 0.888 775 L HN 0.410 nan 8.230 nan 0.000 0.433 776 L N -1.232 119.997 121.223 0.009 0.000 2.119 776 L HA -0.394 3.945 4.340 -0.001 0.000 0.226 776 L C 2.696 179.615 176.870 0.081 0.000 1.093 776 L CA 1.981 56.861 54.840 0.066 0.000 0.806 776 L CB -0.496 41.641 42.059 0.130 0.000 0.902 776 L HN 0.322 nan 8.230 nan 0.000 0.444 777 Y N 0.837 120.989 120.300 -0.248 0.000 2.097 777 Y HA -0.299 4.251 4.550 -0.001 0.000 0.282 777 Y C 2.590 178.465 175.900 -0.042 0.000 1.152 777 Y CA 1.763 59.723 58.100 -0.234 0.000 1.136 777 Y CB -0.453 37.650 38.460 -0.596 0.000 0.975 777 Y HN 0.126 nan 8.280 nan 0.000 0.498 778 K N 0.392 120.707 120.400 -0.143 0.000 2.030 778 K HA -0.313 4.007 4.320 -0.001 0.000 0.222 778 K C 1.839 178.362 176.600 -0.128 0.000 1.056 778 K CA 2.383 58.568 56.287 -0.170 0.000 0.957 778 K CB -1.008 31.449 32.500 -0.072 0.000 0.727 778 K HN 0.580 nan 8.250 nan 0.000 0.452 779 Q N 0.360 120.130 119.800 -0.051 0.000 2.592 779 Q HA -0.126 4.213 4.340 -0.001 0.000 0.219 779 Q C -0.035 175.949 176.000 -0.026 0.000 0.984 779 Q CA 0.422 56.210 55.803 -0.024 0.000 0.911 779 Q CB -0.195 28.550 28.738 0.011 0.000 0.962 779 Q HN 0.067 nan 8.270 nan 0.000 0.532 780 L N 0.110 121.304 121.223 -0.049 0.000 2.352 780 L HA 0.280 4.620 4.340 -0.001 0.000 0.269 780 L C -0.045 176.696 176.870 -0.215 0.000 1.034 780 L CA -0.252 54.522 54.840 -0.111 0.000 0.806 780 L CB 1.335 43.382 42.059 -0.021 0.000 1.244 780 L HN -0.034 nan 8.230 nan 0.000 0.447 781 N N 0.857 119.343 118.700 -0.357 0.000 2.576 781 N HA 0.286 5.026 4.740 -0.001 0.000 0.269 781 N C -1.325 173.983 175.510 -0.337 0.000 1.058 781 N CA -0.316 52.589 53.050 -0.240 0.000 0.860 781 N CB 0.577 38.988 38.487 -0.127 0.000 1.249 781 N HN 0.372 nan 8.380 nan 0.000 0.525 782 F N 2.345 122.322 119.950 0.043 0.000 2.899 782 F HA 0.274 4.800 4.527 -0.000 0.000 0.308 782 F C 1.541 177.377 175.800 0.060 0.000 1.221 782 F CA -0.360 57.685 58.000 0.074 0.000 1.265 782 F CB 0.590 39.647 39.000 0.096 0.000 1.253 782 F HN 0.353 nan 8.300 nan 0.000 0.534 783 T N -0.062 114.570 114.554 0.131 0.000 2.925 783 T HA -0.070 4.279 4.350 -0.001 0.000 0.232 783 T C 1.852 176.608 174.700 0.093 0.000 1.055 783 T CA 1.354 63.513 62.100 0.098 0.000 1.419 783 T CB 0.017 68.916 68.868 0.051 0.000 1.094 783 T HN 0.501 nan 8.240 nan 0.000 0.423 784 E N 1.445 121.685 120.200 0.065 0.000 2.207 784 E HA 0.059 4.409 4.350 -0.001 0.000 0.197 784 E C 0.191 176.830 176.600 0.065 0.000 0.914 784 E CA -0.129 56.308 56.400 0.063 0.000 0.914 784 E CB -0.262 29.464 29.700 0.043 0.000 0.893 784 E HN 0.481 nan 8.360 nan 0.000 0.479 785 N N 1.151 119.880 118.700 0.047 0.000 2.426 785 N HA 0.086 4.825 4.740 -0.001 0.000 0.257 785 N C 0.019 175.555 175.510 0.043 0.000 1.002 785 N CA -0.438 52.638 53.050 0.044 0.000 0.942 785 N CB 1.849 40.352 38.487 0.026 0.000 1.112 785 N HN 0.045 nan 8.380 nan 0.000 0.499 786 E N 2.044 122.290 120.200 0.076 0.000 2.340 786 E HA -0.085 4.265 4.350 -0.001 0.000 0.194 786 E C 1.061 177.714 176.600 0.088 0.000 0.996 786 E CA 0.882 57.343 56.400 0.102 0.000 0.869 786 E CB -0.175 29.632 29.700 0.178 0.000 0.835 786 E HN 0.776 nan 8.360 nan 0.000 0.493 787 T N 0.666 115.260 114.554 0.068 0.000 2.210 787 T HA -0.347 4.003 4.350 -0.001 0.000 0.204 787 T C 1.664 176.393 174.700 0.048 0.000 1.651 787 T CA 1.862 63.997 62.100 0.057 0.000 1.240 787 T CB -1.334 67.557 68.868 0.040 0.000 0.866 787 T HN 0.389 nan 8.240 nan 0.000 0.385 788 D N 1.502 121.914 120.400 0.020 0.000 2.280 788 D HA -0.238 4.401 4.640 -0.001 0.000 0.206 788 D C 1.913 178.208 176.300 -0.009 0.000 0.988 788 D CA 1.410 55.407 54.000 -0.004 0.000 0.886 788 D CB -0.873 39.917 40.800 -0.016 0.000 0.914 788 D HN 0.500 nan 8.370 nan 0.000 0.473 789 N N 0.294 118.997 118.700 0.004 0.000 2.091 789 N HA -0.230 4.510 4.740 -0.001 0.000 0.193 789 N C 1.576 177.111 175.510 0.043 0.000 1.021 789 N CA 0.945 53.994 53.050 -0.001 0.000 0.862 789 N CB -0.633 37.832 38.487 -0.037 0.000 1.018 789 N HN 0.238 nan 8.380 nan 0.000 0.429 790 F N 2.073 121.885 119.950 -0.231 0.000 2.234 790 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 790 F C 2.097 177.786 175.800 -0.185 0.000 1.087 790 F CA 1.129 58.845 58.000 -0.474 0.000 1.340 790 F CB -0.369 38.250 39.000 -0.634 0.000 1.031 790 F HN 0.132 nan 8.300 nan 0.000 0.500 791 E N -0.384 119.678 120.200 -0.230 0.000 2.106 791 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 791 E C 2.347 178.818 176.600 -0.214 0.000 0.984 791 E CA 1.394 57.619 56.400 -0.290 0.000 0.806 791 E CB -0.345 29.261 29.700 -0.157 0.000 0.750 791 E HN 0.284 nan 8.360 nan 0.000 0.458 792 V N 1.606 121.457 119.914 -0.105 0.000 2.220 792 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 792 V C 2.053 178.122 176.094 -0.042 0.000 1.049 792 V CA 2.029 64.296 62.300 -0.055 0.000 1.003 792 V CB -0.693 31.128 31.823 -0.003 0.000 0.634 792 V HN 0.216 nan 8.190 nan 0.000 0.444 793 F N 1.260 121.147 119.950 -0.104 0.000 2.039 793 F HA -0.354 4.172 4.527 -0.000 0.000 0.296 793 F C 2.728 178.463 175.800 -0.108 0.000 1.119 793 F CA 2.679 60.663 58.000 -0.027 0.000 1.211 793 F CB -0.893 38.158 39.000 0.085 0.000 0.956 793 F HN 0.222 nan 8.300 nan 0.000 0.496 794 Q N 1.193 120.703 119.800 -0.484 0.000 2.082 794 Q HA -0.305 4.035 4.340 -0.001 0.000 0.211 794 Q C 2.219 177.978 176.000 -0.402 0.000 1.002 794 Q CA 2.623 58.101 55.803 -0.542 0.000 0.868 794 Q CB -0.680 27.775 28.738 -0.471 0.000 0.931 794 Q HN 0.578 nan 8.270 nan 0.000 0.414 795 K N -0.066 120.165 120.400 -0.282 0.000 2.113 795 K HA -0.141 4.179 4.320 -0.001 0.000 0.208 795 K C 2.173 178.662 176.600 -0.185 0.000 1.047 795 K CA 1.419 57.588 56.287 -0.196 0.000 0.928 795 K CB -0.195 32.221 32.500 -0.142 0.000 0.716 795 K HN 0.350 nan 8.250 nan 0.000 0.446 796 I N 1.386 121.829 120.570 -0.212 0.000 2.493 796 I HA -0.171 3.999 4.170 -0.001 0.000 0.254 796 I C 1.761 177.763 176.117 -0.190 0.000 1.160 796 I CA 1.124 62.327 61.300 -0.162 0.000 1.445 796 I CB -0.791 37.141 38.000 -0.113 0.000 1.086 796 I HN 0.157 nan 8.210 nan 0.000 0.433 797 I N -0.850 119.541 120.570 -0.298 0.000 2.541 797 I HA 0.406 4.576 4.170 -0.001 0.000 0.295 797 I C -0.916 175.102 176.117 -0.165 0.000 1.137 797 I CA -0.188 60.972 61.300 -0.233 0.000 1.256 797 I CB -0.220 37.590 38.000 -0.318 0.000 1.648 797 I HN -0.109 nan 8.210 nan 0.000 0.570 798 D N 0.000 120.326 120.400 -0.123 0.000 6.856 798 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 798 D CA 0.000 53.944 54.000 -0.094 0.000 0.868 798 D CB 0.000 40.739 40.800 -0.102 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683