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_C 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 -0.024 0.000 1.341 65 N N 1.334 120.023 118.700 -0.017 0.000 2.416 65 N HA 0.041 4.782 4.740 0.001 0.000 0.271 65 N C 1.194 176.680 175.510 -0.039 0.000 1.245 65 N CA -0.274 52.765 53.050 -0.018 0.000 0.940 65 N CB 0.693 39.173 38.487 -0.010 0.000 1.175 65 N HN 0.449 nan 8.380 nan 0.000 0.483 66 L N 4.258 125.460 121.223 -0.034 0.000 2.012 66 L HA -0.010 4.330 4.340 0.001 0.000 0.210 66 L C 0.557 177.360 176.870 -0.112 0.000 1.073 66 L CA 1.542 56.352 54.840 -0.050 0.000 0.748 66 L CB -0.070 41.977 42.059 -0.020 0.000 0.891 66 L HN 0.372 nan 8.230 nan 0.000 0.431 67 V N 0.596 120.466 119.914 -0.073 0.000 2.481 67 V HA 0.445 4.566 4.120 0.001 0.000 0.286 67 V C -0.561 175.498 176.094 -0.058 0.000 1.042 67 V CA -0.659 61.597 62.300 -0.072 0.000 0.928 67 V CB 1.217 33.081 31.823 0.068 0.000 0.986 67 V HN 0.328 nan 8.190 nan 0.000 0.462 68 K N 3.881 124.216 120.400 -0.109 0.000 2.413 68 K HA 0.536 4.856 4.320 0.001 0.000 0.257 68 K C -0.548 176.144 176.600 0.153 0.000 0.946 68 K CA -0.236 56.051 56.287 0.001 0.000 0.823 68 K CB 1.851 34.323 32.500 -0.046 0.000 1.109 68 K HN 0.868 nan 8.250 nan 0.000 0.427 69 T N 0.156 114.816 114.554 0.176 0.000 2.738 69 T HA 0.244 4.594 4.350 0.001 0.000 0.298 69 T C 0.805 175.626 174.700 0.201 0.000 0.962 69 T CA -0.763 61.467 62.100 0.216 0.000 0.972 69 T CB 1.431 70.390 68.868 0.151 0.000 0.928 69 T HN 0.429 nan 8.240 nan 0.000 0.474 70 E N 2.809 123.150 120.200 0.236 0.000 1.997 70 E HA 0.128 4.479 4.350 0.001 0.000 0.196 70 E C -0.343 176.391 176.600 0.222 0.000 0.990 70 E CA 0.713 57.232 56.400 0.197 0.000 0.845 70 E CB 0.043 29.855 29.700 0.187 0.000 0.795 70 E HN 0.747 nan 8.360 nan 0.000 0.479 71 F N 1.038 121.033 119.950 0.076 0.000 2.404 71 F HA 0.149 4.677 4.527 0.000 0.000 0.358 71 F C 0.178 175.999 175.800 0.036 0.000 1.120 71 F CA -0.438 57.593 58.000 0.050 0.000 1.144 71 F CB 0.895 39.922 39.000 0.046 0.000 1.133 71 F HN 0.076 nan 8.300 nan 0.000 0.495 72 T N 1.109 115.869 114.554 0.344 0.000 3.285 72 T HA 0.103 4.453 4.350 0.001 0.000 0.232 72 T C 0.493 175.182 174.700 -0.018 0.000 0.973 72 T CA -0.470 61.696 62.100 0.109 0.000 1.023 72 T CB -0.302 68.626 68.868 0.099 0.000 1.158 72 T HN 0.623 nan 8.240 nan 0.000 0.590 73 N N 1.504 120.036 118.700 -0.281 0.000 2.176 73 N HA 0.023 4.764 4.740 0.001 0.000 0.187 73 N C 0.268 175.580 175.510 -0.330 0.000 1.043 73 N CA 0.750 53.444 53.050 -0.593 0.000 0.851 73 N CB 0.140 37.732 38.487 -1.492 0.000 1.018 73 N HN 0.472 nan 8.380 nan 0.000 0.436 74 E N 0.215 120.243 120.200 -0.286 0.000 2.390 74 E HA 0.088 4.439 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 -0.131 56.146 56.400 -0.204 0.000 0.905 74 E CB 0.700 30.274 29.700 -0.210 0.000 0.984 74 E HN 0.390 nan 8.360 nan 0.000 0.427 75 T N 0.001 114.481 114.554 -0.123 0.000 2.905 75 T HA -0.073 4.277 4.350 0.001 0.000 0.400 75 T C 1.576 176.217 174.700 -0.098 0.000 1.098 75 T CA -0.637 61.411 62.100 -0.087 0.000 1.095 75 T CB 0.172 69.006 68.868 -0.058 0.000 1.281 75 T HN 0.231 nan 8.240 nan 0.000 0.515 76 L N 0.961 122.140 121.223 -0.073 0.000 2.064 76 L HA -0.217 4.124 4.340 0.001 0.000 0.216 76 L C 2.468 179.269 176.870 -0.115 0.000 1.077 76 L CA 2.206 57.001 54.840 -0.075 0.000 0.766 76 L CB -2.079 39.950 42.059 -0.050 0.000 0.890 76 L HN 0.659 nan 8.230 nan 0.000 0.435 77 D N 0.169 120.481 120.400 -0.148 0.000 2.347 77 D HA -0.291 4.349 4.640 0.001 0.000 0.189 77 D C 2.072 178.228 176.300 -0.241 0.000 1.020 77 D CA 2.272 56.123 54.000 -0.249 0.000 0.875 77 D CB -0.157 40.383 40.800 -0.432 0.000 0.928 77 D HN 0.425 nan 8.370 nan 0.000 0.454 78 K N 0.771 121.045 120.400 -0.210 0.000 1.984 78 K HA -0.063 4.258 4.320 0.001 0.000 0.209 78 K C 2.235 178.729 176.600 -0.177 0.000 1.046 78 K CA 1.000 57.179 56.287 -0.181 0.000 0.934 78 K CB -0.586 31.825 32.500 -0.148 0.000 0.717 78 K HN 0.179 nan 8.250 nan 0.000 0.438 79 I N 0.858 121.341 120.570 -0.145 0.000 2.058 79 I HA -0.270 3.900 4.170 0.001 0.000 0.235 79 I C 2.281 178.308 176.117 -0.150 0.000 1.053 79 I CA 1.599 62.816 61.300 -0.138 0.000 1.313 79 I CB -0.598 37.350 38.000 -0.087 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 4.129 4.340 0.001 0.000 0.219 80 Q C 1.413 177.347 176.000 -0.110 0.000 0.966 80 Q CA 1.102 56.848 55.803 -0.095 0.000 0.988 80 Q CB -0.217 28.480 28.738 -0.069 0.000 0.999 80 Q HN 0.541 nan 8.270 nan 0.000 0.591 81 Q N -2.632 117.074 119.800 -0.158 0.000 2.620 81 Q HA -0.011 4.329 4.340 0.001 0.000 0.232 81 Q C 1.653 177.506 176.000 -0.246 0.000 0.836 81 Q CA 0.780 56.483 55.803 -0.166 0.000 0.938 81 Q CB 0.218 28.853 28.738 -0.172 0.000 1.242 81 Q HN 0.518 nan 8.270 nan 0.000 0.624 82 T N -0.525 113.791 114.554 -0.396 0.000 2.684 82 T HA -0.209 4.142 4.350 0.001 0.000 0.267 82 T C 1.704 176.153 174.700 -0.418 0.000 1.036 82 T CA 1.557 63.207 62.100 -0.749 0.000 1.148 82 T CB -0.399 67.822 68.868 -1.079 0.000 0.863 82 T HN 0.289 nan 8.240 nan 0.000 0.436 83 Q N 1.072 120.727 119.800 -0.242 0.000 1.956 83 Q HA -0.178 4.162 4.340 0.001 0.000 0.208 83 Q C 2.378 178.339 176.000 -0.064 0.000 0.998 83 Q CA 1.909 57.646 55.803 -0.111 0.000 0.855 83 Q CB -0.501 28.192 28.738 -0.075 0.000 0.928 83 Q HN 0.496 nan 8.270 nan 0.000 0.418 84 D N 0.530 120.893 120.400 -0.063 0.000 2.218 84 D HA -0.196 4.444 4.640 0.001 0.000 0.194 84 D C 1.803 178.109 176.300 0.009 0.000 1.007 84 D CA 0.979 54.965 54.000 -0.024 0.000 0.879 84 D CB -0.240 40.543 40.800 -0.030 0.000 0.918 84 D HN 0.059 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 -0.109 4.231 4.340 0.001 0.000 0.209 85 L C 2.400 179.375 176.870 0.175 0.000 1.071 85 L CA 1.409 56.314 54.840 0.109 0.000 0.746 85 L CB -0.641 41.474 42.059 0.094 0.000 0.890 85 L HN 0.082 nan 8.230 nan 0.000 0.432 86 L N -0.543 120.772 121.223 0.154 0.000 2.141 86 L HA -0.191 4.149 4.340 0.001 0.000 0.209 86 L C 2.368 179.281 176.870 0.071 0.000 1.094 86 L CA 1.288 56.211 54.840 0.138 0.000 0.763 86 L CB -0.704 41.443 42.059 0.146 0.000 0.908 86 L HN 0.358 nan 8.230 nan 0.000 0.437 87 K N 0.562 120.994 120.400 0.053 0.000 2.442 87 K HA -0.193 4.127 4.320 0.001 0.000 0.198 87 K C 2.054 178.690 176.600 0.060 0.000 1.044 87 K CA 1.068 57.382 56.287 0.044 0.000 0.948 87 K CB -0.131 32.388 32.500 0.030 0.000 0.762 87 K HN 0.171 nan 8.250 nan 0.000 0.472 88 K N 1.897 122.341 120.400 0.074 0.000 2.211 88 K HA 0.040 4.360 4.320 0.001 0.000 0.201 88 K C 0.304 176.967 176.600 0.105 0.000 1.052 88 K CA 0.194 56.543 56.287 0.103 0.000 0.973 88 K CB 0.076 32.640 32.500 0.107 0.000 0.766 88 K HN 0.246 nan 8.250 nan 0.000 0.466 89 I N 5.482 126.060 120.570 0.014 0.000 2.416 89 I HA 0.114 4.285 4.170 0.001 0.000 0.288 89 I C -2.027 174.039 176.117 -0.086 0.000 1.051 89 I CA -2.226 58.988 61.300 -0.143 0.000 1.375 89 I CB 0.933 38.858 38.000 -0.125 0.000 1.407 89 I HN 0.037 nan 8.210 nan 0.000 0.516 90 P HA -0.052 nan 4.420 nan 0.000 0.262 90 P C 0.240 177.557 177.300 0.027 0.000 1.199 90 P CA -0.159 62.977 63.100 0.060 0.000 0.763 90 P CB 0.852 32.696 31.700 0.239 0.000 0.790 91 K N 3.328 123.757 120.400 0.047 0.000 2.227 91 K HA -0.229 4.091 4.320 0.001 0.000 0.208 91 K C 1.251 177.862 176.600 0.018 0.000 1.045 91 K CA 2.007 58.311 56.287 0.028 0.000 0.931 91 K CB -0.427 32.098 32.500 0.042 0.000 0.721 91 K HN 0.450 nan 8.250 nan 0.000 0.469 92 D N -0.966 119.465 120.400 0.051 0.000 2.137 92 D HA -0.112 4.528 4.640 0.001 0.000 0.202 92 D C 1.827 178.082 176.300 -0.075 0.000 0.970 92 D CA 1.055 55.080 54.000 0.042 0.000 0.837 92 D CB -0.390 40.506 40.800 0.160 0.000 0.981 92 D HN 0.085 nan 8.370 nan 0.000 0.475 93 V N 1.370 121.176 119.914 -0.180 0.000 2.568 93 V HA -0.208 3.913 4.120 0.001 0.000 0.253 93 V C 2.217 178.178 176.094 -0.221 0.000 1.072 93 V CA 1.252 63.302 62.300 -0.417 0.000 1.084 93 V CB -0.316 31.246 31.823 -0.435 0.000 0.676 93 V HN 0.143 nan 8.190 nan 0.000 0.469 94 L N -0.893 120.254 121.223 -0.127 0.000 2.095 94 L HA -0.004 4.337 4.340 0.001 0.000 0.204 94 L C 2.688 179.550 176.870 -0.013 0.000 1.080 94 L CA 1.161 55.958 54.840 -0.072 0.000 0.759 94 L CB -0.765 41.257 42.059 -0.061 0.000 0.914 94 L HN 0.225 nan 8.230 nan 0.000 0.439 95 E N 0.666 120.850 120.200 -0.027 0.000 2.160 95 E HA -0.196 4.154 4.350 0.001 0.000 0.195 95 E C 2.216 178.796 176.600 -0.033 0.000 0.991 95 E CA 1.272 57.661 56.400 -0.018 0.000 0.810 95 E CB -0.142 29.552 29.700 -0.011 0.000 0.742 95 E HN 0.557 nan 8.360 nan 0.000 0.466 96 I N -0.254 120.280 120.570 -0.060 0.000 2.394 96 I HA -0.257 3.913 4.170 0.001 0.000 0.251 96 I C 2.301 178.361 176.117 -0.094 0.000 1.136 96 I CA 0.850 62.095 61.300 -0.091 0.000 1.425 96 I CB -0.325 37.583 38.000 -0.154 0.000 1.079 96 I HN 0.029 nan 8.210 nan 0.000 0.425 97 Y N 2.083 122.279 120.300 -0.173 0.000 2.084 97 Y HA -0.309 4.242 4.550 0.000 0.000 0.279 97 Y C 3.079 178.900 175.900 -0.131 0.000 1.119 97 Y CA 2.023 60.022 58.100 -0.169 0.000 1.101 97 Y CB -0.509 37.839 38.460 -0.187 0.000 0.989 97 Y HN 0.209 nan 8.280 nan 0.000 0.484 98 S N -0.237 115.493 115.700 0.051 0.000 2.380 98 S HA -0.317 4.153 4.470 0.001 0.000 0.229 98 S C 1.912 176.467 174.600 -0.075 0.000 1.043 98 S CA 1.659 59.851 58.200 -0.014 0.000 1.038 98 S CB -0.731 62.469 63.200 -0.001 0.000 0.872 98 S HN 0.502 nan 8.310 nan 0.000 0.456 99 E N 1.788 121.942 120.200 -0.078 0.000 2.058 99 E HA -0.033 4.317 4.350 0.001 0.000 0.194 99 E C 1.755 178.282 176.600 -0.122 0.000 0.997 99 E CA 1.285 57.634 56.400 -0.086 0.000 0.801 99 E CB -0.647 29.008 29.700 -0.075 0.000 0.746 99 E HN 0.691 nan 8.360 nan 0.000 0.450 100 L N -1.040 120.073 121.223 -0.183 0.000 2.633 100 L HA 0.083 4.423 4.340 0.001 0.000 0.235 100 L C 1.556 178.293 176.870 -0.220 0.000 1.163 100 L CA 0.555 55.262 54.840 -0.221 0.000 0.859 100 L CB -0.505 41.360 42.059 -0.323 0.000 0.973 100 L HN 0.459 nan 8.230 nan 0.000 0.451 101 G N -0.565 108.126 108.800 -0.182 0.000 2.176 101 G HA2 -0.236 3.724 3.960 0.001 0.000 0.253 101 G HA3 -0.236 3.724 3.960 0.001 0.000 0.253 101 G C 0.661 175.466 174.900 -0.159 0.000 0.979 101 G CA -0.155 44.860 45.100 -0.142 0.000 0.641 101 G HN 0.551 nan 8.290 nan 0.000 0.530 102 G N -0.318 108.308 108.800 -0.289 0.000 2.664 102 G HA2 0.500 4.460 3.960 0.001 0.000 0.242 102 G HA3 0.500 4.460 3.960 0.001 0.000 0.242 102 G C -0.128 174.782 174.900 0.016 0.000 1.225 102 G CA 0.523 45.461 45.100 -0.271 0.000 0.849 102 G HN 0.628 nan 8.290 nan 0.000 0.581 103 E N -0.869 119.385 120.200 0.089 0.000 2.356 103 E HA 0.444 4.795 4.350 0.001 0.000 0.275 103 E C -0.908 175.584 176.600 -0.181 0.000 0.904 103 E CA -0.666 55.679 56.400 -0.091 0.000 0.757 103 E CB 2.575 32.131 29.700 -0.240 0.000 1.232 103 E HN 0.331 nan 8.360 nan 0.000 0.442 104 I N 2.012 122.361 120.570 -0.367 0.000 2.441 104 I HA 0.340 4.511 4.170 0.001 0.000 0.295 104 I C -1.085 174.673 176.117 -0.599 0.000 0.994 104 I CA -0.819 60.218 61.300 -0.437 0.000 1.144 104 I CB 0.951 38.686 38.000 -0.442 0.000 1.314 104 I HN 0.456 nan 8.210 nan 0.000 0.445 105 Y N 5.331 125.462 120.300 -0.281 0.000 2.328 105 Y HA 0.434 4.985 4.550 0.000 0.000 0.333 105 Y C -0.639 175.084 175.900 -0.295 0.000 0.958 105 Y CA -0.563 57.420 58.100 -0.195 0.000 1.167 105 Y CB 1.302 39.723 38.460 -0.066 0.000 1.151 105 Y HN 0.316 nan 8.280 nan 0.000 0.470 106 F N 2.294 122.341 119.950 0.161 0.000 2.388 106 F HA 0.480 5.007 4.527 0.000 0.000 0.358 106 F C 0.366 176.243 175.800 0.128 0.000 1.122 106 F CA -0.972 57.080 58.000 0.086 0.000 1.056 106 F CB 1.482 40.498 39.000 0.027 0.000 1.155 106 F HN 0.356 nan 8.300 nan 0.000 0.461 107 T N -0.688 114.044 114.554 0.297 0.000 2.916 107 T HA 0.453 4.804 4.350 0.001 0.000 0.292 107 T C -0.252 174.585 174.700 0.228 0.000 1.064 107 T CA -0.866 61.380 62.100 0.244 0.000 1.011 107 T CB 2.361 71.340 68.868 0.186 0.000 1.152 107 T HN 0.313 nan 8.240 nan 0.000 0.510 108 D N -0.047 120.513 120.400 0.266 0.000 2.206 108 D HA 0.163 4.804 4.640 0.001 0.000 0.272 108 D C 0.565 176.984 176.300 0.198 0.000 1.196 108 D CA -1.028 53.112 54.000 0.234 0.000 1.012 108 D CB 0.077 41.114 40.800 0.396 0.000 1.139 108 D HN 0.667 nan 8.370 nan 0.000 0.522 109 I N 1.056 121.731 120.570 0.176 0.000 2.992 109 I HA -0.040 4.130 4.170 0.001 0.000 0.309 109 I C -0.500 175.699 176.117 0.137 0.000 1.170 109 I CA 0.759 62.138 61.300 0.132 0.000 1.862 109 I CB -0.845 37.214 38.000 0.097 0.000 1.579 109 I HN 0.094 nan 8.210 nan 0.000 0.885 110 D N 5.115 125.601 120.400 0.143 0.000 2.468 110 D HA 0.271 4.911 4.640 0.001 0.000 0.272 110 D C 0.687 177.075 176.300 0.147 0.000 1.221 110 D CA -0.398 53.692 54.000 0.151 0.000 0.860 110 D CB 1.094 41.999 40.800 0.174 0.000 1.190 110 D HN 0.259 nan 8.370 nan 0.000 0.509 111 L N -0.291 120.995 121.223 0.106 0.000 2.007 111 L HA 0.018 4.359 4.340 0.001 0.000 0.205 111 L C 1.159 178.125 176.870 0.159 0.000 1.073 111 L CA 0.867 55.788 54.840 0.134 0.000 0.744 111 L CB -0.309 41.799 42.059 0.082 0.000 0.898 111 L HN 0.166 nan 8.230 nan 0.000 0.435 112 V N -0.567 119.390 119.914 0.073 0.000 3.751 112 V HA -0.072 4.049 4.120 0.001 0.000 0.274 112 V C 0.629 176.775 176.094 0.085 0.000 0.960 112 V CA -0.552 61.760 62.300 0.020 0.000 0.960 112 V CB 0.011 31.775 31.823 -0.099 0.000 1.244 112 V HN 0.278 nan 8.190 nan 0.000 0.417 113 E N -0.126 120.040 120.200 -0.056 0.000 3.259 113 E HA -0.028 4.322 4.350 0.001 0.000 0.307 113 E C 0.040 176.716 176.600 0.127 0.000 1.375 113 E CA 0.320 56.725 56.400 0.009 0.000 1.472 113 E CB -0.428 29.193 29.700 -0.131 0.000 1.174 113 E HN 0.616 nan 8.360 nan 0.000 0.473 114 H N 0.199 119.275 119.070 0.011 0.000 3.058 114 H HA 0.199 4.756 4.556 0.001 0.000 0.258 114 H C 0.203 175.532 175.328 0.003 0.000 1.015 114 H CA -0.016 56.034 56.048 0.002 0.000 1.210 114 H CB 0.640 30.407 29.762 0.009 0.000 1.481 114 H HN -0.027 nan 8.280 nan 0.000 0.492 115 K N 1.479 121.929 120.400 0.083 0.000 2.355 115 K HA -0.038 4.283 4.320 0.001 0.000 0.270 115 K C 1.027 177.584 176.600 -0.072 0.000 1.003 115 K CA 0.356 56.642 56.287 -0.001 0.000 0.957 115 K CB 0.684 33.188 32.500 0.006 0.000 0.939 115 K HN 0.546 nan 8.250 nan 0.000 0.482 116 E N 2.594 122.720 120.200 -0.123 0.000 2.448 116 E HA -0.189 4.161 4.350 0.001 0.000 0.203 116 E C 0.683 177.205 176.600 -0.130 0.000 1.046 116 E CA 0.943 57.261 56.400 -0.135 0.000 0.871 116 E CB 0.096 29.706 29.700 -0.149 0.000 0.790 116 E HN 0.303 nan 8.360 nan 0.000 0.545 117 L N 0.346 121.488 121.223 -0.135 0.000 3.259 117 L HA 0.175 4.515 4.340 0.001 0.000 0.292 117 L C 0.953 177.826 176.870 0.005 0.000 1.219 117 L CA 0.200 54.985 54.840 -0.091 0.000 1.035 117 L CB 0.952 42.904 42.059 -0.178 0.000 1.424 117 L HN 0.084 nan 8.230 nan 0.000 0.603 118 Q N 0.254 120.069 119.800 0.025 0.000 2.228 118 Q HA 0.149 4.489 4.340 0.001 0.000 0.211 118 Q C -0.363 175.699 176.000 0.102 0.000 0.890 118 Q CA 0.184 56.054 55.803 0.113 0.000 0.953 118 Q CB 0.456 29.278 28.738 0.141 0.000 1.053 118 Q HN 0.347 nan 8.270 nan 0.000 0.471 119 D N -0.568 119.866 120.400 0.055 0.000 2.549 119 D HA 0.108 4.749 4.640 0.001 0.000 0.270 119 D C 0.142 176.477 176.300 0.058 0.000 1.181 119 D CA -0.803 53.220 54.000 0.039 0.000 1.070 119 D CB 0.819 41.619 40.800 0.000 0.000 1.154 119 D HN -0.067 nan 8.370 nan 0.000 0.602 120 L N 1.652 122.899 121.223 0.039 0.000 2.891 120 L HA -0.027 4.314 4.340 0.001 0.000 0.290 120 L C -0.393 176.506 176.870 0.049 0.000 1.093 120 L CA 1.416 56.283 54.840 0.045 0.000 1.108 120 L CB -1.974 40.100 42.059 0.026 0.000 1.488 120 L HN 0.278 nan 8.230 nan 0.000 0.447 121 S N 2.482 118.225 115.700 0.071 0.000 3.341 121 S HA 0.306 4.776 4.470 0.001 0.000 0.326 121 S C -0.814 173.834 174.600 0.080 0.000 1.178 121 S CA -0.777 57.460 58.200 0.062 0.000 1.002 121 S CB 0.966 64.201 63.200 0.060 0.000 1.385 121 S HN 0.608 nan 8.310 nan 0.000 0.710 122 E N 3.038 123.283 120.200 0.076 0.000 2.406 122 E HA 0.039 4.389 4.350 0.001 0.000 0.247 122 E C 0.162 176.848 176.600 0.143 0.000 1.160 122 E CA 0.226 56.677 56.400 0.085 0.000 0.950 122 E CB -0.291 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 3.145 123.434 120.200 0.148 0.000 3.055 123 E HA 0.214 4.564 4.350 0.001 0.000 0.224 123 E C -0.540 176.165 176.600 0.175 0.000 0.662 123 E CA -0.785 55.735 56.400 0.200 0.000 1.557 123 E CB -0.054 29.757 29.700 0.185 0.000 1.888 123 E HN 0.258 nan 8.360 nan 0.000 0.399 124 E N 0.728 121.017 120.200 0.147 0.000 2.220 124 E HA 0.036 4.386 4.350 0.001 0.000 0.272 124 E C 0.195 176.853 176.600 0.097 0.000 1.099 124 E CA 0.135 56.606 56.400 0.119 0.000 0.907 124 E CB 0.564 30.331 29.700 0.111 0.000 1.022 124 E HN 0.287 nan 8.360 nan 0.000 0.428 125 K N 2.789 123.242 120.400 0.088 0.000 2.273 125 K HA 0.206 4.526 4.320 0.001 0.000 0.206 125 K C -0.175 176.461 176.600 0.060 0.000 1.072 125 K CA 0.430 56.757 56.287 0.067 0.000 0.953 125 K CB 0.276 32.812 32.500 0.060 0.000 1.043 125 K HN 0.402 nan 8.250 nan 0.000 0.477 126 N N -0.916 117.823 118.700 0.066 0.000 2.381 126 N HA 0.212 4.952 4.740 0.001 0.000 0.294 126 N C -1.207 174.346 175.510 0.071 0.000 1.216 126 N CA -0.335 52.752 53.050 0.061 0.000 0.803 126 N CB 1.986 40.508 38.487 0.057 0.000 1.372 126 N HN -0.276 nan 8.380 nan 0.000 0.500 127 S N 1.059 116.798 115.700 0.064 0.000 2.835 127 S HA 0.242 4.712 4.470 0.001 0.000 0.194 127 S C -0.365 174.273 174.600 0.064 0.000 1.364 127 S CA -0.500 57.739 58.200 0.065 0.000 1.167 127 S CB -0.577 62.654 63.200 0.052 0.000 1.223 127 S HN 0.440 nan 8.310 nan 0.000 0.512 128 M N 0.367 120.020 119.600 0.088 0.000 2.325 128 M HA 0.465 4.946 4.480 0.001 0.000 0.305 128 M C -0.158 176.219 176.300 0.127 0.000 1.047 128 M CA -0.435 54.910 55.300 0.074 0.000 0.981 128 M CB -0.067 32.609 32.600 0.127 0.000 1.307 128 M HN 0.076 nan 8.290 nan 0.000 0.418 129 N N 1.366 120.126 118.700 0.100 0.000 2.220 129 N HA 0.013 4.753 4.740 0.001 0.000 0.193 129 N C 0.910 176.530 175.510 0.183 0.000 1.052 129 N CA 1.194 54.326 53.050 0.135 0.000 0.898 129 N CB 0.312 38.856 38.487 0.095 0.000 1.080 129 N HN 0.722 nan 8.380 nan 0.000 0.467 130 S N 0.525 116.329 115.700 0.174 0.000 2.397 130 S HA 0.186 4.656 4.470 0.001 0.000 0.261 130 S C 1.214 176.038 174.600 0.373 0.000 1.187 130 S CA -0.573 57.825 58.200 0.330 0.000 1.023 130 S CB 0.713 63.998 63.200 0.143 0.000 1.103 130 S HN 0.262 nan 8.310 nan 0.000 0.474 131 R N 0.822 121.681 120.500 0.598 0.000 2.109 131 R HA -0.007 4.334 4.340 0.001 0.000 0.227 131 R C 1.171 177.589 176.300 0.198 0.000 1.132 131 R CA 1.528 57.823 56.100 0.324 0.000 0.907 131 R CB -1.242 29.248 30.300 0.317 0.000 0.825 131 R HN 0.732 nan 8.270 nan 0.000 0.432 132 G N 0.274 109.198 108.800 0.206 0.000 2.537 132 G HA2 0.164 4.125 3.960 0.001 0.000 0.273 132 G HA3 0.164 4.125 3.960 0.001 0.000 0.273 132 G C -1.083 173.866 174.900 0.081 0.000 1.189 132 G CA -0.527 44.639 45.100 0.110 0.000 0.881 132 G HN 0.481 nan 8.290 nan 0.000 0.535 133 E N -0.372 119.849 120.200 0.034 0.000 2.301 133 E HA 0.453 4.804 4.350 0.001 0.000 0.275 133 E C 0.454 177.073 176.600 0.032 0.000 1.030 133 E CA -0.431 55.986 56.400 0.028 0.000 0.852 133 E CB 1.888 31.586 29.700 -0.002 0.000 1.060 133 E HN 0.429 nan 8.360 nan 0.000 0.401 134 K N 2.648 123.066 120.400 0.030 0.000 2.638 134 K HA 0.183 4.504 4.320 0.001 0.000 0.207 134 K C 0.053 176.668 176.600 0.025 0.000 1.429 134 K CA 0.424 56.722 56.287 0.020 0.000 0.957 134 K CB 0.572 33.071 32.500 -0.002 0.000 1.733 134 K HN 0.364 nan 8.250 nan 0.000 0.474 135 V N 2.000 121.930 119.914 0.026 0.000 3.444 135 V HA -0.113 4.008 4.120 0.001 0.000 0.197 135 V C -2.588 173.541 176.094 0.058 0.000 0.437 135 V CA 1.099 63.422 62.300 0.037 0.000 1.061 135 V CB -0.778 31.074 31.823 0.048 0.000 1.198 135 V HN 0.390 nan 8.190 nan 0.000 1.198 136 P HA 0.105 nan 4.420 nan 0.000 0.243 136 P C 1.350 178.734 177.300 0.140 0.000 1.668 136 P CA 0.110 63.253 63.100 0.072 0.000 0.898 136 P CB -0.293 31.431 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 4.037 4.527 0.000 0.000 0.267 137 F C 2.134 177.895 175.800 -0.064 0.000 1.168 137 F CA 2.284 60.229 58.000 -0.092 0.000 1.513 137 F CB -1.154 37.769 39.000 -0.128 0.000 0.811 137 F HN 0.200 nan 8.300 nan 0.000 0.507 138 A N -0.614 122.370 122.820 0.273 0.000 2.117 138 A HA -0.329 3.991 4.320 0.001 0.000 0.224 138 A C 1.701 179.359 177.584 0.123 0.000 1.167 138 A CA 2.341 54.429 52.037 0.085 0.000 0.664 138 A CB -1.196 17.779 19.000 -0.041 0.000 0.811 138 A HN 0.768 nan 8.150 nan 0.000 0.470 139 S N -1.295 114.481 115.700 0.126 0.000 2.602 139 S HA 0.400 4.870 4.470 0.001 0.000 0.246 139 S C 0.404 175.068 174.600 0.106 0.000 1.009 139 S CA -0.683 57.560 58.200 0.073 0.000 1.052 139 S CB 0.064 63.281 63.200 0.029 0.000 0.778 139 S HN 0.359 nan 8.310 nan 0.000 0.455 140 R N 0.733 121.350 120.500 0.196 0.000 2.828 140 R HA 0.553 4.893 4.340 0.001 0.000 0.264 140 R C -0.076 176.468 176.300 0.407 0.000 1.022 140 R CA -0.945 55.321 56.100 0.278 0.000 1.021 140 R CB 1.107 31.479 30.300 0.119 0.000 1.163 140 R HN 0.472 nan 8.270 nan 0.000 0.494 141 F N -2.371 117.628 119.950 0.082 0.000 2.975 141 F HA 0.404 4.931 4.527 0.001 0.000 0.366 141 F C -0.480 175.393 175.800 0.122 0.000 1.071 141 F CA -0.785 57.273 58.000 0.097 0.000 1.102 141 F CB 0.111 39.156 39.000 0.074 0.000 1.176 141 F HN -0.014 nan 8.300 nan 0.000 0.545 142 V N 2.258 122.051 119.914 -0.201 0.000 2.709 142 V HA 0.677 4.797 4.120 0.001 0.000 0.308 142 V C -1.598 174.568 176.094 0.120 0.000 1.062 142 V CA -0.663 61.512 62.300 -0.207 0.000 0.901 142 V CB 2.413 33.989 31.823 -0.412 0.000 1.003 142 V HN 0.197 nan 8.190 nan 0.000 0.425 143 F N 3.057 122.965 119.950 -0.070 0.000 2.665 143 F HA 0.649 5.176 4.527 0.001 0.000 0.308 143 F C -0.942 174.842 175.800 -0.026 0.000 1.112 143 F CA -0.844 57.115 58.000 -0.067 0.000 0.972 143 F CB 2.137 41.063 39.000 -0.122 0.000 1.295 143 F HN 0.574 nan 8.300 nan 0.000 0.440 144 E N 3.952 123.472 120.200 -1.134 0.000 2.114 144 E HA 0.255 4.606 4.350 0.001 0.000 0.266 144 E C -1.201 174.829 176.600 -0.952 0.000 0.896 144 E CA -0.453 55.487 56.400 -0.767 0.000 0.750 144 E CB 1.250 30.675 29.700 -0.459 0.000 1.121 144 E HN 0.507 nan 8.360 nan 0.000 0.413 145 K N 5.102 125.244 120.400 -0.431 0.000 2.081 145 K HA -0.003 4.317 4.320 0.001 0.000 0.230 145 K C 1.017 177.523 176.600 -0.156 0.000 1.199 145 K CA 0.187 56.357 56.287 -0.196 0.000 1.130 145 K CB -0.048 32.443 32.500 -0.014 0.000 1.386 145 K HN 0.607 nan 8.250 nan 0.000 0.280 146 K N 1.144 121.423 120.400 -0.201 0.000 2.148 146 K HA -0.345 3.976 4.320 0.001 0.000 0.213 146 K C 1.731 178.283 176.600 -0.079 0.000 1.050 146 K CA 1.825 58.036 56.287 -0.126 0.000 0.932 146 K CB -0.166 32.282 32.500 -0.086 0.000 0.717 146 K HN 0.318 nan 8.250 nan 0.000 0.462 147 R N 0.469 120.942 120.500 -0.045 0.000 2.070 147 R HA -0.151 4.189 4.340 0.001 0.000 0.233 147 R C 2.224 178.494 176.300 -0.050 0.000 1.137 147 R CA 2.074 58.151 56.100 -0.038 0.000 0.945 147 R CB -0.053 30.240 30.300 -0.011 0.000 0.845 147 R HN 0.508 nan 8.270 nan 0.000 0.430 148 E N -0.727 119.443 120.200 -0.050 0.000 2.343 148 E HA 0.021 4.371 4.350 0.001 0.000 0.223 148 E C -0.129 176.420 176.600 -0.086 0.000 0.977 148 E CA 0.657 57.023 56.400 -0.057 0.000 1.027 148 E CB -0.266 29.412 29.700 -0.038 0.000 1.769 148 E HN 0.070 nan 8.360 nan 0.000 0.531 149 T N 1.868 116.374 114.554 -0.080 0.000 2.909 149 T HA 0.463 4.813 4.350 0.001 0.000 0.289 149 T C -2.493 172.127 174.700 -0.133 0.000 1.005 149 T CA -2.173 59.855 62.100 -0.119 0.000 1.084 149 T CB 1.154 69.970 68.868 -0.088 0.000 0.975 149 T HN 0.088 nan 8.240 nan 0.000 0.509 150 P HA 0.354 nan 4.420 nan 0.000 0.281 150 P C -1.198 176.075 177.300 -0.045 0.000 1.252 150 P CA -0.528 62.454 63.100 -0.196 0.000 0.778 150 P CB 0.570 32.006 31.700 -0.440 0.000 0.895 151 K N 3.112 123.528 120.400 0.026 0.000 2.521 151 K HA 0.385 4.705 4.320 0.001 0.000 0.248 151 K C -0.464 176.186 176.600 0.083 0.000 0.978 151 K CA -0.685 55.671 56.287 0.116 0.000 0.947 151 K CB 1.253 33.839 32.500 0.142 0.000 1.165 151 K HN 0.439 nan 8.250 nan 0.000 0.445 152 L N 5.077 126.349 121.223 0.082 0.000 2.276 152 L HA 0.498 4.838 4.340 0.001 0.000 0.286 152 L C -1.037 175.829 176.870 -0.007 0.000 1.061 152 L CA -0.424 54.395 54.840 -0.036 0.000 0.807 152 L CB 0.481 42.427 42.059 -0.188 0.000 1.177 152 L HN 0.562 nan 8.230 nan 0.000 0.429 153 I N 6.368 126.956 120.570 0.031 0.000 2.436 153 I HA 0.441 4.611 4.170 0.001 0.000 0.289 153 I C -0.824 175.299 176.117 0.010 0.000 1.010 153 I CA -0.572 60.769 61.300 0.070 0.000 1.098 153 I CB 1.776 39.868 38.000 0.153 0.000 1.266 153 I HN 0.442 nan 8.210 nan 0.000 0.434 154 I N 5.852 126.380 120.570 -0.070 0.000 2.686 154 I HA 0.446 4.617 4.170 0.001 0.000 0.295 154 I C -0.904 175.277 176.117 0.107 0.000 1.114 154 I CA -0.664 60.590 61.300 -0.077 0.000 1.038 154 I CB 1.912 39.746 38.000 -0.276 0.000 1.238 154 I HN 0.596 nan 8.210 nan 0.000 0.420 155 N N 4.779 123.563 118.700 0.140 0.000 2.262 155 N HA 0.727 5.467 4.740 0.001 0.000 0.295 155 N C -1.497 174.139 175.510 0.210 0.000 1.161 155 N CA -0.397 52.773 53.050 0.200 0.000 0.767 155 N CB 2.890 41.493 38.487 0.195 0.000 1.499 155 N HN 0.375 nan 8.380 nan 0.000 0.476 156 I N -0.464 120.193 120.570 0.146 0.000 3.002 156 I HA 0.514 4.685 4.170 0.001 0.000 0.310 156 I C 0.755 176.901 176.117 0.049 0.000 1.087 156 I CA -0.694 60.667 61.300 0.102 0.000 1.017 156 I CB 1.790 39.798 38.000 0.013 0.000 1.226 156 I HN 0.701 nan 8.210 nan 0.000 0.443 157 K N 0.912 121.323 120.400 0.019 0.000 3.248 157 K HA 0.435 4.756 4.320 0.001 0.000 0.255 157 K C -0.238 176.330 176.600 -0.053 0.000 1.395 157 K CA 0.294 56.574 56.287 -0.011 0.000 1.139 157 K CB -0.201 32.303 32.500 0.007 0.000 2.091 157 K HN 0.639 nan 8.250 nan 0.000 0.408 158 D N -1.070 119.321 120.400 -0.015 0.000 2.496 158 D HA 0.200 4.840 4.640 0.001 0.000 0.283 158 D C -0.516 175.778 176.300 -0.010 0.000 1.214 158 D CA -0.065 53.944 54.000 0.014 0.000 1.089 158 D CB 0.219 41.108 40.800 0.148 0.000 1.141 158 D HN 0.181 nan 8.370 nan 0.000 0.580 159 Y N 0.069 120.357 120.300 -0.021 0.000 2.851 159 Y HA 0.457 5.007 4.550 0.001 0.000 0.369 159 Y C 0.471 176.362 175.900 -0.014 0.000 1.226 159 Y CA -0.431 57.658 58.100 -0.019 0.000 1.949 159 Y CB -0.401 38.047 38.460 -0.021 0.000 2.059 159 Y HN 0.217 nan 8.280 nan 0.000 0.420 160 A N 0.140 123.019 122.820 0.098 0.000 2.610 160 A HA 0.407 4.727 4.320 0.001 0.000 0.290 160 A C 1.002 178.617 177.584 0.051 0.000 1.001 160 A CA -0.157 51.921 52.037 0.068 0.000 1.004 160 A CB -0.446 18.584 19.000 0.049 0.000 1.220 160 A HN 0.667 nan 8.150 nan 0.000 0.507 161 I N -0.761 119.842 120.570 0.055 0.000 3.228 161 I HA -0.037 4.133 4.170 0.001 0.000 0.279 161 I C 1.897 178.041 176.117 0.045 0.000 1.221 161 I CA 0.252 61.591 61.300 0.066 0.000 1.458 161 I CB 0.074 38.126 38.000 0.087 0.000 1.105 161 I HN 0.322 nan 8.210 nan 0.000 0.445 162 N N 0.487 119.205 118.700 0.029 0.000 2.216 162 N HA -0.086 4.655 4.740 0.001 0.000 0.183 162 N C 1.966 177.474 175.510 -0.002 0.000 1.017 162 N CA 1.093 54.148 53.050 0.008 0.000 0.861 162 N CB 0.001 38.493 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 -0.165 4.306 4.470 0.001 0.000 0.219 163 S C 0.977 175.577 174.600 -0.000 0.000 1.035 163 S CA 1.058 59.259 58.200 0.002 0.000 1.037 163 S CB -0.142 63.062 63.200 0.006 0.000 0.956 163 S HN 0.393 nan 8.310 nan 0.000 0.428 164 E N 0.793 120.999 120.200 0.011 0.000 2.167 164 E HA 0.216 4.566 4.350 0.001 0.000 0.247 164 E C 0.178 176.794 176.600 0.027 0.000 0.961 164 E CA -0.192 56.219 56.400 0.019 0.000 0.797 164 E CB 0.292 30.011 29.700 0.031 0.000 1.182 164 E HN 0.271 nan 8.360 nan 0.000 0.437 165 Q N 0.766 120.557 119.800 -0.014 0.000 2.439 165 Q HA -0.116 4.224 4.340 0.001 0.000 0.211 165 Q C 1.702 177.712 176.000 0.017 0.000 0.978 165 Q CA 0.853 56.638 55.803 -0.031 0.000 0.897 165 Q CB 0.107 28.753 28.738 -0.153 0.000 0.956 165 Q HN 0.411 nan 8.270 nan 0.000 0.483 166 S N 0.594 116.331 115.700 0.062 0.000 2.571 166 S HA -0.179 4.291 4.470 0.001 0.000 0.245 166 S C 1.513 176.272 174.600 0.264 0.000 0.976 166 S CA 1.274 59.570 58.200 0.160 0.000 0.954 166 S CB 0.032 63.327 63.200 0.158 0.000 0.756 166 S HN 0.495 nan 8.310 nan 0.000 0.535 167 K N 0.413 120.957 120.400 0.241 0.000 2.161 167 K HA 0.184 4.504 4.320 0.001 0.000 0.205 167 K C 2.015 178.891 176.600 0.461 0.000 1.035 167 K CA 0.627 57.135 56.287 0.368 0.000 0.970 167 K CB -0.793 31.837 32.500 0.217 0.000 0.866 167 K HN 0.352 nan 8.250 nan 0.000 0.461 168 E N 1.579 121.963 120.200 0.306 0.000 2.331 168 E HA -0.151 4.199 4.350 0.001 0.000 0.199 168 E C 1.849 178.605 176.600 0.261 0.000 1.008 168 E CA 0.565 57.139 56.400 0.290 0.000 0.843 168 E CB 0.059 29.871 29.700 0.188 0.000 0.761 168 E HN 0.233 nan 8.360 nan 0.000 0.507 169 V N 0.097 120.116 119.914 0.176 0.000 2.490 169 V HA -0.245 3.875 4.120 0.001 0.000 0.250 169 V C 1.335 177.407 176.094 -0.036 0.000 1.061 169 V CA 1.723 64.055 62.300 0.052 0.000 1.064 169 V CB -0.473 31.336 31.823 -0.023 0.000 0.670 169 V HN 0.426 nan 8.190 nan 0.000 0.461 170 Y N -1.624 118.818 120.300 0.236 0.000 2.509 170 Y HA -0.129 4.421 4.550 0.000 0.000 0.293 170 Y C 2.163 178.166 175.900 0.173 0.000 1.133 170 Y CA 1.777 59.999 58.100 0.204 0.000 1.283 170 Y CB -0.331 38.269 38.460 0.233 0.000 1.001 170 Y HN 0.462 nan 8.280 nan 0.000 0.555 171 Y N 0.784 121.146 120.300 0.105 0.000 2.509 171 Y HA -0.093 4.457 4.550 0.000 0.000 0.293 171 Y C 1.619 177.546 175.900 0.045 0.000 1.133 171 Y CA 1.007 59.118 58.100 0.018 0.000 1.283 171 Y CB -0.059 38.417 38.460 0.028 0.000 1.001 171 Y HN 0.048 nan 8.280 nan 0.000 0.555 172 E N -0.070 120.159 120.200 0.049 0.000 2.099 172 E HA -0.012 4.338 4.350 0.001 0.000 0.191 172 E C 2.249 178.899 176.600 0.083 0.000 0.962 172 E CA 1.059 57.518 56.400 0.098 0.000 0.826 172 E CB -0.326 29.538 29.700 0.273 0.000 0.788 172 E HN 0.543 nan 8.360 nan 0.000 0.461 173 I N -0.262 120.353 120.570 0.076 0.000 2.193 173 I HA -0.082 4.088 4.170 0.001 0.000 0.240 173 I C 2.076 178.211 176.117 0.030 0.000 1.084 173 I CA 1.569 62.910 61.300 0.069 0.000 1.365 173 I CB -0.499 37.536 38.000 0.059 0.000 1.064 173 I HN 0.205 nan 8.210 nan 0.000 0.410 174 G N 1.232 110.083 108.800 0.085 0.000 2.550 174 G HA2 -0.388 3.572 3.960 0.001 0.000 0.222 174 G HA3 -0.388 3.572 3.960 0.001 0.000 0.222 174 G C 1.700 176.555 174.900 -0.074 0.000 1.113 174 G CA 1.454 46.595 45.100 0.068 0.000 0.748 174 G HN 0.491 nan 8.290 nan 0.000 0.585 175 K N -0.067 120.227 120.400 -0.177 0.000 1.992 175 K HA 0.121 4.441 4.320 0.001 0.000 0.210 175 K C 2.688 179.102 176.600 -0.311 0.000 1.036 175 K CA 1.136 57.222 56.287 -0.334 0.000 0.946 175 K CB -0.973 31.203 32.500 -0.541 0.000 0.742 175 K HN 0.124 nan 8.250 nan 0.000 0.442 176 G N 3.004 111.543 108.800 -0.434 0.000 2.984 176 G HA2 -0.357 3.603 3.960 0.001 0.000 0.239 176 G HA3 -0.357 3.603 3.960 0.001 0.000 0.239 176 G C 1.386 176.202 174.900 -0.139 0.000 1.090 176 G CA 2.074 46.930 45.100 -0.406 0.000 0.731 176 G HN 0.650 nan 8.290 nan 0.000 0.659 177 I N 1.097 121.625 120.570 -0.070 0.000 3.233 177 I HA -0.012 4.158 4.170 0.001 0.000 0.287 177 I C 2.408 178.478 176.117 -0.079 0.000 1.329 177 I CA 1.260 62.534 61.300 -0.044 0.000 1.385 177 I CB -0.591 37.389 38.000 -0.033 0.000 1.053 177 I HN 0.299 nan 8.210 nan 0.000 0.525 178 S N 2.883 118.526 115.700 -0.094 0.000 2.327 178 S HA 0.005 4.475 4.470 0.001 0.000 0.213 178 S C 1.819 176.347 174.600 -0.120 0.000 1.032 178 S CA 0.696 58.876 58.200 -0.034 0.000 0.960 178 S CB -0.821 62.449 63.200 0.117 0.000 0.900 178 S HN 0.590 nan 8.310 nan 0.000 0.469 179 L N 2.162 123.295 121.223 -0.151 0.000 2.477 179 L HA 0.168 4.508 4.340 0.001 0.000 0.220 179 L C 2.030 178.753 176.870 -0.245 0.000 1.106 179 L CA 0.432 55.165 54.840 -0.179 0.000 0.851 179 L CB -0.954 40.997 42.059 -0.181 0.000 0.994 179 L HN 0.284 nan 8.230 nan 0.000 0.462 180 D N 2.108 122.383 120.400 -0.209 0.000 2.174 180 D HA -0.317 4.323 4.640 0.001 0.000 0.215 180 D C 1.979 178.122 176.300 -0.262 0.000 1.021 180 D CA 1.360 55.151 54.000 -0.348 0.000 0.910 180 D CB -0.673 40.096 40.800 -0.051 0.000 1.142 180 D HN 0.306 nan 8.370 nan 0.000 0.473 181 I N -0.427 120.053 120.570 -0.151 0.000 2.992 181 I HA -0.188 3.982 4.170 0.001 0.000 0.277 181 I C 1.130 177.172 176.117 -0.125 0.000 1.277 181 I CA 0.903 62.132 61.300 -0.118 0.000 1.429 181 I CB 0.050 37.994 38.000 -0.094 0.000 1.104 181 I HN 0.164 nan 8.210 nan 0.000 0.498 182 I N -1.671 118.807 120.570 -0.154 0.000 4.665 182 I HA 0.010 4.180 4.170 0.001 0.000 0.360 182 I C 1.379 177.404 176.117 -0.154 0.000 1.259 182 I CA 0.317 61.533 61.300 -0.139 0.000 1.301 182 I CB -0.048 37.866 38.000 -0.144 0.000 1.746 182 I HN 0.073 nan 8.210 nan 0.000 0.598 183 S N 1.504 117.078 115.700 -0.210 0.000 2.294 183 S HA -0.006 4.465 4.470 0.001 0.000 0.182 183 S C 1.591 176.095 174.600 -0.159 0.000 1.053 183 S CA 1.856 59.924 58.200 -0.220 0.000 1.161 183 S CB 0.467 63.410 63.200 -0.428 0.000 0.890 183 S HN 0.335 nan 8.310 nan 0.000 0.448 184 K N 0.008 120.278 120.400 -0.218 0.000 2.556 184 K HA 0.277 4.597 4.320 0.001 0.000 0.201 184 K C 1.380 177.931 176.600 -0.082 0.000 1.423 184 K CA 0.825 57.067 56.287 -0.076 0.000 1.010 184 K CB -0.792 31.741 32.500 0.056 0.000 1.409 184 K HN 0.241 nan 8.250 nan 0.000 0.538 185 D N 1.046 121.338 120.400 -0.179 0.000 2.220 185 D HA -0.216 4.424 4.640 0.001 0.000 0.198 185 D C 1.186 177.435 176.300 -0.085 0.000 1.001 185 D CA 1.501 55.439 54.000 -0.104 0.000 0.875 185 D CB 0.341 41.071 40.800 -0.117 0.000 0.921 185 D HN 0.372 nan 8.370 nan 0.000 0.454 186 K N -1.744 118.597 120.400 -0.098 0.000 2.600 186 K HA 0.087 4.407 4.320 0.001 0.000 0.210 186 K C 1.472 178.031 176.600 -0.068 0.000 1.650 186 K CA 0.348 56.590 56.287 -0.074 0.000 1.024 186 K CB -0.192 32.267 32.500 -0.068 0.000 1.370 186 K HN -0.108 nan 8.250 nan 0.000 0.619 187 S N 0.975 116.626 115.700 -0.082 0.000 2.387 187 S HA -0.066 4.405 4.470 0.001 0.000 0.230 187 S C 1.228 175.800 174.600 -0.048 0.000 1.035 187 S CA 1.247 59.403 58.200 -0.072 0.000 1.014 187 S CB -0.150 62.999 63.200 -0.086 0.000 0.836 187 S HN 0.346 nan 8.310 nan 0.000 0.466 188 L N -0.666 120.538 121.223 -0.032 0.000 2.731 188 L HA 0.625 4.965 4.340 0.001 0.000 0.199 188 L C 0.045 176.905 176.870 -0.018 0.000 1.976 188 L CA -1.039 53.791 54.840 -0.018 0.000 2.802 188 L CB -0.690 41.367 42.059 -0.003 0.000 2.882 188 L HN 0.035 nan 8.230 nan 0.000 0.651 189 D N -0.719 119.680 120.400 -0.003 0.000 2.564 189 D HA 0.315 4.955 4.640 0.001 0.000 0.273 189 D C -2.430 173.859 176.300 -0.019 0.000 1.192 189 D CA -1.270 52.722 54.000 -0.012 0.000 1.080 189 D CB 0.161 40.958 40.800 -0.005 0.000 1.160 189 D HN 0.217 nan 8.370 nan 0.000 0.607 190 P HA 0.035 nan 4.420 nan 0.000 0.235 190 P C -0.924 176.348 177.300 -0.047 0.000 1.670 190 P CA 0.212 63.264 63.100 -0.081 0.000 1.017 190 P CB -0.225 31.388 31.700 -0.146 0.000 1.945 191 E N 0.747 120.963 120.200 0.026 0.000 2.608 191 E HA -0.104 4.246 4.350 0.001 0.000 0.259 191 E C 1.077 177.768 176.600 0.152 0.000 0.951 191 E CA 0.354 56.832 56.400 0.130 0.000 0.945 191 E CB 0.076 29.834 29.700 0.097 0.000 0.916 191 E HN 0.285 nan 8.360 nan 0.000 0.477 192 F N 1.633 121.545 119.950 -0.063 0.000 2.094 192 F HA -0.343 4.184 4.527 0.001 0.000 0.296 192 F C 2.186 177.935 175.800 -0.084 0.000 1.070 192 F CA 1.166 59.123 58.000 -0.071 0.000 1.255 192 F CB -0.819 38.151 39.000 -0.050 0.000 1.000 192 F HN 0.470 nan 8.300 nan 0.000 0.490 193 L N -0.544 120.756 121.223 0.128 0.000 2.021 193 L HA -0.326 4.015 4.340 0.001 0.000 0.215 193 L C 2.479 179.272 176.870 -0.129 0.000 1.074 193 L CA 2.185 57.040 54.840 0.025 0.000 0.760 193 L CB -0.671 41.431 42.059 0.072 0.000 0.889 193 L HN 0.312 nan 8.230 nan 0.000 0.433 194 N N -0.135 118.482 118.700 -0.138 0.000 2.405 194 N HA -0.095 4.645 4.740 0.001 0.000 0.175 194 N C 1.784 177.156 175.510 -0.231 0.000 1.051 194 N CA 0.350 53.245 53.050 -0.259 0.000 0.899 194 N CB 0.328 38.735 38.487 -0.133 0.000 1.000 194 N HN 0.164 nan 8.380 nan 0.000 0.451 195 L N 1.282 122.380 121.223 -0.208 0.000 2.109 195 L HA 0.126 4.467 4.340 0.001 0.000 0.207 195 L C 1.852 178.565 176.870 -0.262 0.000 1.086 195 L CA 1.318 55.977 54.840 -0.302 0.000 0.760 195 L CB -0.385 41.428 42.059 -0.411 0.000 0.910 195 L HN 0.110 nan 8.230 nan 0.000 0.437 196 I N -1.387 119.082 120.570 -0.169 0.000 2.852 196 I HA -0.075 4.095 4.170 0.001 0.000 0.264 196 I C 2.185 178.250 176.117 -0.088 0.000 1.179 196 I CA 0.168 61.408 61.300 -0.100 0.000 1.480 196 I CB -0.348 37.647 38.000 -0.008 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 -0.136 0.000 2.148 197 K HA -0.085 4.235 4.320 0.001 0.000 0.204 197 K C 2.245 178.796 176.600 -0.082 0.000 1.050 197 K CA 1.126 57.327 56.287 -0.144 0.000 0.942 197 K CB -0.193 32.099 32.500 -0.347 0.000 0.724 197 K HN 0.119 nan 8.250 nan 0.000 0.446 198 S N 0.672 116.302 115.700 -0.116 0.000 2.423 198 S HA -0.001 4.469 4.470 0.001 0.000 0.231 198 S C 1.881 176.477 174.600 -0.007 0.000 1.014 198 S CA 0.435 58.603 58.200 -0.054 0.000 0.965 198 S CB -0.056 62.973 63.200 -0.284 0.000 0.785 198 S HN 0.290 nan 8.310 nan 0.000 0.495 199 L N 1.546 122.738 121.223 -0.052 0.000 2.450 199 L HA 0.000 4.341 4.340 0.001 0.000 0.224 199 L C 2.205 179.115 176.870 0.066 0.000 1.149 199 L CA 0.845 55.679 54.840 -0.010 0.000 0.816 199 L CB -0.434 41.607 42.059 -0.030 0.000 0.932 199 L HN 0.324 nan 8.230 nan 0.000 0.449 200 S N -0.389 115.365 115.700 0.089 0.000 2.894 200 S HA -0.148 4.323 4.470 0.001 0.000 0.231 200 S C 1.264 176.021 174.600 0.261 0.000 0.971 200 S CA 0.422 58.707 58.200 0.143 0.000 1.005 200 S CB -0.409 62.865 63.200 0.122 0.000 0.799 200 S HN 0.405 nan 8.310 nan 0.000 0.527 201 D N 2.317 122.868 120.400 0.251 0.000 2.106 201 D HA -0.136 4.505 4.640 0.001 0.000 0.194 201 D C 0.904 177.548 176.300 0.574 0.000 0.988 201 D CA 2.013 56.205 54.000 0.320 0.000 0.845 201 D CB 0.058 40.920 40.800 0.102 0.000 0.990 201 D HN 0.750 nan 8.370 nan 0.000 0.448 202 D N -2.540 118.064 120.400 0.340 0.000 2.704 202 D HA 0.105 4.746 4.640 0.001 0.000 0.291 202 D C 0.467 176.853 176.300 0.144 0.000 1.610 202 D CA 0.338 54.495 54.000 0.263 0.000 0.807 202 D CB -0.191 40.785 40.800 0.293 0.000 1.233 202 D HN 0.126 nan 8.370 nan 0.000 0.445 203 S N -1.315 114.456 115.700 0.118 0.000 2.514 203 S HA 0.096 4.567 4.470 0.001 0.000 0.223 203 S C 1.080 175.716 174.600 0.059 0.000 1.046 203 S CA 0.135 58.381 58.200 0.075 0.000 0.914 203 S CB 0.310 63.546 63.200 0.060 0.000 0.807 203 S HN 0.062 nan 8.310 nan 0.000 0.497 204 D N 1.933 122.371 120.400 0.064 0.000 2.458 204 D HA 0.164 4.805 4.640 0.001 0.000 0.252 204 D C 0.795 177.122 176.300 0.045 0.000 1.221 204 D CA 0.588 54.618 54.000 0.050 0.000 0.985 204 D CB -0.472 40.358 40.800 0.049 0.000 1.050 204 D HN 0.375 nan 8.370 nan 0.000 0.411 205 S N -0.174 115.556 115.700 0.050 0.000 2.592 205 S HA 0.074 4.544 4.470 0.001 0.000 0.271 205 S C 0.684 175.300 174.600 0.027 0.000 1.326 205 S CA -0.391 57.831 58.200 0.036 0.000 1.024 205 S CB 0.956 64.180 63.200 0.040 0.000 0.921 205 S HN 0.008 nan 8.310 nan 0.000 0.527 206 S N 2.914 118.619 115.700 0.007 0.000 2.942 206 S HA 0.090 4.561 4.470 0.001 0.000 0.244 206 S C -0.447 174.133 174.600 -0.033 0.000 1.011 206 S CA 0.013 58.208 58.200 -0.009 0.000 1.102 206 S CB -0.464 62.726 63.200 -0.017 0.000 0.812 206 S HN 0.577 nan 8.310 nan 0.000 0.486 207 D N 1.851 122.238 120.400 -0.022 0.000 2.485 207 D HA 0.202 4.842 4.640 0.001 0.000 0.256 207 D C -0.593 175.671 176.300 -0.059 0.000 1.141 207 D CA -0.293 53.673 54.000 -0.057 0.000 0.942 207 D CB 0.999 41.778 40.800 -0.036 0.000 1.003 207 D HN 0.134 nan 8.370 nan 0.000 0.507 208 L N 2.214 123.355 121.223 -0.136 0.000 2.955 208 L HA 0.136 4.476 4.340 0.001 0.000 0.238 208 L C 0.457 176.995 176.870 -0.552 0.000 1.359 208 L CA 0.123 54.792 54.840 -0.285 0.000 1.214 208 L CB -0.164 41.766 42.059 -0.215 0.000 1.600 208 L HN 0.142 nan 8.230 nan 0.000 0.442 209 L N 1.024 122.037 121.223 -0.349 0.000 2.828 209 L HA 0.253 4.593 4.340 0.001 0.000 0.233 209 L C 0.198 177.030 176.870 -0.063 0.000 1.250 209 L CA 0.100 54.777 54.840 -0.273 0.000 1.125 209 L CB -0.260 41.615 42.059 -0.307 0.000 1.432 209 L HN 0.303 nan 8.230 nan 0.000 0.444 210 F N -2.507 117.484 119.950 0.068 0.000 2.772 210 F HA 0.389 4.917 4.527 0.000 0.000 0.302 210 F C 1.556 177.370 175.800 0.023 0.000 1.136 210 F CA -0.507 57.485 58.000 -0.012 0.000 1.322 210 F CB -0.820 38.186 39.000 0.010 0.000 0.967 210 F HN 0.147 nan 8.300 nan 0.000 0.513 211 S N 0.561 116.376 115.700 0.193 0.000 2.555 211 S HA -0.127 4.343 4.470 0.001 0.000 0.230 211 S C 1.731 176.412 174.600 0.135 0.000 0.978 211 S CA 1.264 59.586 58.200 0.203 0.000 0.934 211 S CB -0.267 62.999 63.200 0.110 0.000 0.766 211 S HN 0.746 nan 8.310 nan 0.000 0.533 212 Q N 0.676 120.509 119.800 0.055 0.000 2.302 212 Q HA 0.048 4.388 4.340 0.001 0.000 0.202 212 Q C 1.819 177.785 176.000 -0.055 0.000 0.936 212 Q CA 0.779 56.539 55.803 -0.070 0.000 0.886 212 Q CB -0.269 28.307 28.738 -0.270 0.000 0.986 212 Q HN 0.701 nan 8.270 nan 0.000 0.487 213 K N -0.441 119.914 120.400 -0.074 0.000 2.425 213 K HA 0.205 4.525 4.320 0.001 0.000 0.201 213 K C -0.024 176.696 176.600 0.201 0.000 1.128 213 K CA -0.152 56.086 56.287 -0.081 0.000 1.000 213 K CB 0.490 32.774 32.500 -0.360 0.000 0.961 213 K HN 0.048 nan 8.250 nan 0.000 0.555 214 F N 2.026 122.059 119.950 0.138 0.000 2.366 214 F HA 0.361 4.888 4.527 0.000 0.000 0.357 214 F C 0.731 176.616 175.800 0.140 0.000 1.107 214 F CA -1.188 56.857 58.000 0.075 0.000 1.208 214 F CB 1.365 40.306 39.000 -0.099 0.000 1.464 214 F HN -0.053 nan 8.300 nan 0.000 0.501 215 K N 2.067 122.625 120.400 0.263 0.000 3.533 215 K HA 0.044 4.364 4.320 0.001 0.000 0.215 215 K C 1.885 178.556 176.600 0.118 0.000 1.143 215 K CA 0.813 57.209 56.287 0.183 0.000 1.479 215 K CB -0.318 32.260 32.500 0.129 0.000 2.075 215 K HN 0.414 nan 8.250 nan 0.000 0.476 216 E N 0.502 120.746 120.200 0.073 0.000 2.204 216 E HA -0.177 4.173 4.350 0.001 0.000 0.195 216 E C 1.071 177.687 176.600 0.026 0.000 0.990 216 E CA 1.084 57.510 56.400 0.043 0.000 0.821 216 E CB 0.010 29.724 29.700 0.023 0.000 0.750 216 E HN 0.100 nan 8.360 nan 0.000 0.477 217 K N 0.048 120.457 120.400 0.015 0.000 2.352 217 K HA 0.138 4.458 4.320 0.001 0.000 0.194 217 K C 0.524 177.095 176.600 -0.049 0.000 1.038 217 K CA 0.073 56.346 56.287 -0.023 0.000 1.023 217 K CB 0.725 33.187 32.500 -0.063 0.000 0.840 217 K HN 0.153 nan 8.250 nan 0.000 0.519 218 L N 1.901 123.099 121.223 -0.041 0.000 2.613 218 L HA 0.143 4.484 4.340 0.001 0.000 0.275 218 L C 0.073 176.955 176.870 0.021 0.000 1.453 218 L CA 0.164 54.946 54.840 -0.097 0.000 0.725 218 L CB 0.355 42.130 42.059 -0.474 0.000 1.013 218 L HN 0.068 nan 8.230 nan 0.000 0.520 219 E N -0.185 120.062 120.200 0.079 0.000 2.451 219 E HA 0.062 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 -0.364 56.127 56.400 0.151 0.000 0.914 219 E CB 0.323 30.098 29.700 0.125 0.000 1.054 219 E HN 0.357 nan 8.360 nan 0.000 0.461 220 L N 2.370 123.606 121.223 0.022 0.000 2.536 220 L HA 0.206 4.547 4.340 0.001 0.000 0.242 220 L C 0.476 177.339 176.870 -0.012 0.000 1.280 220 L CA -0.131 54.684 54.840 -0.043 0.000 1.221 220 L CB -0.396 41.567 42.059 -0.161 0.000 1.449 220 L HN -0.014 nan 8.230 nan 0.000 0.405 221 N N 0.633 119.381 118.700 0.081 0.000 2.396 221 N HA -0.055 4.686 4.740 0.001 0.000 0.180 221 N C -0.081 175.469 175.510 0.067 0.000 1.028 221 N CA 0.599 53.736 53.050 0.145 0.000 0.893 221 N CB -0.050 38.574 38.487 0.228 0.000 0.967 221 N HN 0.563 nan 8.380 nan 0.000 0.440 222 N N 1.933 120.643 118.700 0.018 0.000 3.303 222 N HA 0.054 4.794 4.740 0.001 0.000 0.304 222 N C -0.397 175.077 175.510 -0.061 0.000 1.302 222 N CA 0.339 53.383 53.050 -0.011 0.000 1.213 222 N CB 0.408 38.887 38.487 -0.013 0.000 1.481 222 N HN 0.039 nan 8.380 nan 0.000 0.546 223 K N 0.543 120.907 120.400 -0.060 0.000 2.545 223 K HA 0.065 4.385 4.320 0.001 0.000 0.291 223 K C -1.237 175.340 176.600 -0.037 0.000 1.093 223 K CA -0.221 56.001 56.287 -0.109 0.000 1.012 223 K CB 0.748 33.077 32.500 -0.286 0.000 1.354 223 K HN -0.018 nan 8.250 nan 0.000 0.460 224 S N 4.799 120.495 115.700 -0.007 0.000 2.519 224 S HA 0.162 4.633 4.470 0.001 0.000 0.310 224 S C 1.030 175.673 174.600 0.072 0.000 1.201 224 S CA -0.147 58.070 58.200 0.028 0.000 1.179 224 S CB -0.474 62.735 63.200 0.015 0.000 1.104 224 S HN 0.372 nan 8.310 nan 0.000 0.527 225 I N 3.212 123.853 120.570 0.117 0.000 2.426 225 I HA 0.045 4.215 4.170 0.001 0.000 0.282 225 I C 1.017 177.130 176.117 -0.008 0.000 1.064 225 I CA -0.098 61.319 61.300 0.195 0.000 2.047 225 I CB -0.371 37.750 38.000 0.201 0.000 1.497 225 I HN 0.500 nan 8.210 nan 0.000 0.899 226 D N 2.326 122.711 120.400 -0.025 0.000 2.685 226 D HA 0.224 4.864 4.640 0.001 0.000 0.257 226 D C 1.588 177.779 176.300 -0.182 0.000 1.472 226 D CA 0.821 54.740 54.000 -0.136 0.000 1.125 226 D CB 0.473 41.206 40.800 -0.112 0.000 0.969 226 D HN 0.261 nan 8.370 nan 0.000 0.281 227 I N 0.343 120.836 120.570 -0.128 0.000 4.288 227 I HA 0.075 4.246 4.170 0.001 0.000 0.331 227 I C 0.816 176.908 176.117 -0.041 0.000 1.322 227 I CA 0.033 61.259 61.300 -0.124 0.000 1.149 227 I CB 0.195 38.124 38.000 -0.117 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 -0.143 4.597 4.740 0.001 0.000 0.180 228 N C 1.211 176.816 175.510 0.159 0.000 1.028 228 N CA 1.314 54.401 53.050 0.060 0.000 0.893 228 N CB 0.066 38.585 38.487 0.054 0.000 0.967 228 N HN 0.446 nan 8.380 nan 0.000 0.440 229 F N -1.123 118.800 119.950 -0.045 0.000 2.897 229 F HA 0.404 4.931 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 -0.272 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 1.593 121.921 120.570 -0.403 0.000 2.335 230 I HA -0.311 3.859 4.170 0.001 0.000 0.251 230 I C 1.873 177.873 176.117 -0.195 0.000 1.129 230 I CA 1.638 62.658 61.300 -0.467 0.000 1.402 230 I CB -0.182 37.470 38.000 -0.581 0.000 1.069 230 I HN 0.206 nan 8.210 nan 0.000 0.424 231 K N 0.432 120.752 120.400 -0.134 0.000 1.969 231 K HA -0.292 4.029 4.320 0.001 0.000 0.216 231 K C 1.918 178.500 176.600 -0.029 0.000 1.048 231 K CA 1.902 58.151 56.287 -0.063 0.000 0.948 231 K CB -0.517 31.960 32.500 -0.039 0.000 0.726 231 K HN 0.139 nan 8.250 nan 0.000 0.442 232 E N 1.350 121.546 120.200 -0.006 0.000 2.245 232 E HA -0.235 4.115 4.350 0.001 0.000 0.217 232 E C 0.128 176.726 176.600 -0.003 0.000 1.069 232 E CA 1.645 58.061 56.400 0.026 0.000 0.877 232 E CB -0.069 29.698 29.700 0.112 0.000 0.757 232 E HN 0.243 nan 8.360 nan 0.000 0.464 233 N N 0.027 118.697 118.700 -0.050 0.000 2.660 233 N HA 0.109 4.850 4.740 0.001 0.000 0.316 233 N C 0.919 176.399 175.510 -0.051 0.000 1.774 233 N CA 0.198 53.188 53.050 -0.099 0.000 0.946 233 N CB 0.468 38.814 38.487 -0.235 0.000 1.322 233 N HN 0.292 nan 8.380 nan 0.000 0.492 234 L N -1.100 120.142 121.223 0.031 0.000 2.081 234 L HA -0.181 4.159 4.340 0.001 0.000 0.212 234 L C 2.239 179.115 176.870 0.011 0.000 1.080 234 L CA 1.856 56.745 54.840 0.081 0.000 0.754 234 L CB -1.646 40.419 42.059 0.009 0.000 0.893 234 L HN 0.088 nan 8.230 nan 0.000 0.433 235 T N -2.445 112.063 114.554 -0.077 0.000 2.635 235 T HA -0.289 4.061 4.350 0.001 0.000 0.267 235 T C 1.819 176.306 174.700 -0.354 0.000 1.040 235 T CA 1.656 63.648 62.100 -0.181 0.000 1.156 235 T CB -0.708 68.097 68.868 -0.105 0.000 0.863 235 T HN 0.553 nan 8.240 nan 0.000 0.430 236 E N 0.279 120.323 120.200 -0.261 0.000 2.153 236 E HA -0.086 4.264 4.350 0.001 0.000 0.194 236 E C 1.262 177.723 176.600 -0.230 0.000 0.988 236 E CA 0.844 57.145 56.400 -0.166 0.000 0.811 236 E CB -0.183 29.281 29.700 -0.392 0.000 0.746 236 E HN 0.650 nan 8.360 nan 0.000 0.466 237 F N 0.763 120.722 119.950 0.014 0.000 2.816 237 F HA 0.055 4.582 4.527 0.000 0.000 0.302 237 F C 2.117 177.986 175.800 0.116 0.000 1.178 237 F CA 0.441 58.503 58.000 0.102 0.000 1.421 237 F CB 0.069 39.070 39.000 0.002 0.000 1.114 237 F HN 0.022 nan 8.300 nan 0.000 0.573 238 Q N -1.223 118.633 119.800 0.093 0.000 2.387 238 Q HA -0.024 4.317 4.340 0.001 0.000 0.208 238 Q C 1.784 177.862 176.000 0.130 0.000 0.935 238 Q CA 0.346 56.196 55.803 0.078 0.000 0.891 238 Q CB -0.200 28.480 28.738 -0.097 0.000 1.007 238 Q HN 0.387 nan 8.270 nan 0.000 0.548 239 H N 0.649 119.809 119.070 0.150 0.000 2.496 239 H HA -0.134 4.422 4.556 0.001 0.000 0.296 239 H C 1.655 177.079 175.328 0.159 0.000 1.107 239 H CA 1.463 57.594 56.048 0.137 0.000 1.263 239 H CB -0.033 29.792 29.762 0.106 0.000 1.369 239 H HN 0.333 nan 8.280 nan 0.000 0.541 240 A N 0.495 123.502 122.820 0.312 0.000 1.884 240 A HA -0.014 4.306 4.320 0.001 0.000 0.212 240 A C 2.166 179.896 177.584 0.243 0.000 1.265 240 A CA 0.345 52.525 52.037 0.238 0.000 0.626 240 A CB -1.002 18.166 19.000 0.280 0.000 0.943 240 A HN 0.253 nan 8.150 nan 0.000 0.466 241 F N 2.077 122.154 119.950 0.211 0.000 2.225 241 F HA -0.238 4.289 4.527 0.000 0.000 0.302 241 F C 2.295 178.240 175.800 0.241 0.000 1.068 241 F CA 1.782 59.924 58.000 0.237 0.000 1.327 241 F CB -0.054 39.081 39.000 0.226 0.000 1.043 241 F HN 0.207 nan 8.300 nan 0.000 0.506 242 S N 0.903 116.768 115.700 0.275 0.000 2.329 242 S HA -0.130 4.341 4.470 0.001 0.000 0.215 242 S C 2.023 176.741 174.600 0.196 0.000 1.031 242 S CA 1.404 59.730 58.200 0.210 0.000 0.985 242 S CB -0.760 62.557 63.200 0.195 0.000 0.917 242 S HN 0.387 nan 8.310 nan 0.000 0.441 243 L N 1.491 122.816 121.223 0.169 0.000 2.129 243 L HA -0.189 4.152 4.340 0.001 0.000 0.212 243 L C 2.749 179.733 176.870 0.189 0.000 1.087 243 L CA 1.151 56.094 54.840 0.172 0.000 0.757 243 L CB -0.773 41.334 42.059 0.081 0.000 0.896 243 L HN 0.341 nan 8.230 nan 0.000 0.434 244 A N -0.190 122.676 122.820 0.076 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 0.108 0.000 1.181 244 A CA 1.381 53.440 52.037 0.035 0.000 0.620 244 A CB -0.720 18.253 19.000 -0.044 0.000 0.819 244 A HN 0.388 nan 8.150 nan 0.000 0.442 245 F N 2.115 122.021 119.950 -0.073 0.000 2.102 245 F HA -0.206 4.322 4.527 0.000 0.000 0.298 245 F C 2.769 178.746 175.800 0.295 0.000 1.105 245 F CA 2.132 60.178 58.000 0.076 0.000 1.239 245 F CB -0.385 38.579 39.000 -0.061 0.000 0.991 245 F HN 0.313 nan 8.300 nan 0.000 0.474 246 S N -0.820 115.137 115.700 0.428 0.000 2.400 246 S HA -0.268 4.203 4.470 0.001 0.000 0.232 246 S C 1.887 176.608 174.600 0.203 0.000 1.025 246 S CA 1.414 59.796 58.200 0.303 0.000 0.993 246 S CB -1.302 62.020 63.200 0.203 0.000 0.808 246 S HN 0.504 nan 8.310 nan 0.000 0.478 247 Y N 0.262 120.614 120.300 0.087 0.000 2.176 247 Y HA 0.090 4.640 4.550 0.001 0.000 0.291 247 Y C 2.454 178.377 175.900 0.039 0.000 1.122 247 Y CA 0.859 59.000 58.100 0.069 0.000 1.128 247 Y CB -1.034 37.392 38.460 -0.055 0.000 1.005 247 Y HN 0.285 nan 8.280 nan 0.000 0.509 248 Y N -0.924 119.369 120.300 -0.012 0.000 2.241 248 Y HA -0.307 4.244 4.550 0.000 0.000 0.286 248 Y C 1.248 176.792 175.900 -0.593 0.000 1.166 248 Y CA 1.812 59.711 58.100 -0.335 0.000 1.203 248 Y CB -0.398 37.707 38.460 -0.591 0.000 0.977 248 Y HN 0.088 nan 8.280 nan 0.000 0.529 249 F N -0.963 118.940 119.950 -0.079 0.000 2.720 249 F HA 0.399 4.926 4.527 0.001 0.000 0.301 249 F C 1.406 177.148 175.800 -0.097 0.000 1.103 249 F CA -0.001 57.920 58.000 -0.131 0.000 1.291 249 F CB -0.503 38.333 39.000 -0.273 0.000 1.086 249 F HN -0.086 nan 8.300 nan 0.000 0.592 250 A N 2.993 125.852 122.820 0.065 0.000 2.565 250 A HA 0.053 4.374 4.320 0.001 0.000 0.237 250 A C -1.033 176.486 177.584 -0.108 0.000 1.053 250 A CA -0.789 51.230 52.037 -0.031 0.000 0.755 250 A CB -0.346 18.588 19.000 -0.110 0.000 0.980 250 A HN 0.119 nan 8.150 nan 0.000 0.506 251 P HA -0.195 nan 4.420 nan 0.000 0.221 251 P C 0.283 177.494 177.300 -0.148 0.000 1.145 251 P CA 1.794 64.840 63.100 -0.089 0.000 0.795 251 P CB 0.161 31.828 31.700 -0.054 0.000 0.775 252 D N 0.302 120.539 120.400 -0.272 0.000 2.799 252 D HA -0.075 4.566 4.640 0.001 0.000 0.267 252 D C 0.527 176.684 176.300 -0.237 0.000 1.468 252 D CA 0.305 54.134 54.000 -0.285 0.000 1.077 252 D CB -1.576 38.999 40.800 -0.376 0.000 1.065 252 D HN 0.232 nan 8.370 nan 0.000 0.359 253 H N 1.010 119.985 119.070 -0.158 0.000 3.205 253 H HA 0.387 4.944 4.556 0.001 0.000 0.262 253 H C 1.090 176.351 175.328 -0.112 0.000 1.333 253 H CA -0.436 55.526 56.048 -0.144 0.000 1.499 253 H CB 0.279 29.912 29.762 -0.216 0.000 1.609 253 H HN 0.139 nan 8.280 nan 0.000 0.498 254 R N 1.763 122.287 120.500 0.041 0.000 2.194 254 R HA 0.020 4.360 4.340 0.001 0.000 0.194 254 R C 0.824 177.131 176.300 0.011 0.000 0.985 254 R CA 0.925 57.000 56.100 -0.042 0.000 1.104 254 R CB -1.269 28.904 30.300 -0.213 0.000 1.092 254 R HN 0.472 nan 8.270 nan 0.000 0.555 255 T N 1.789 116.339 114.554 -0.008 0.000 2.833 255 T HA -0.023 4.328 4.350 0.001 0.000 0.269 255 T C 2.095 176.809 174.700 0.023 0.000 1.054 255 T CA 1.344 63.426 62.100 -0.030 0.000 1.135 255 T CB -0.468 68.378 68.868 -0.037 0.000 0.869 255 T HN -0.034 nan 8.240 nan 0.000 0.466 256 V N 1.611 121.582 119.914 0.095 0.000 2.324 256 V HA -0.156 3.965 4.120 0.001 0.000 0.250 256 V C 2.425 178.560 176.094 0.068 0.000 1.060 256 V CA 1.557 63.914 62.300 0.096 0.000 1.042 256 V CB -0.807 31.123 31.823 0.178 0.000 0.650 256 V HN 0.357 nan 8.190 nan 0.000 0.450 257 L N 0.190 121.488 121.223 0.124 0.000 2.141 257 L HA -0.142 4.198 4.340 0.001 0.000 0.209 257 L C 2.365 179.317 176.870 0.138 0.000 1.094 257 L CA 2.179 57.087 54.840 0.113 0.000 0.763 257 L CB -0.589 41.602 42.059 0.220 0.000 0.908 257 L HN 0.458 nan 8.230 nan 0.000 0.437 258 E N -1.240 118.974 120.200 0.023 0.000 2.358 258 E HA -0.170 4.180 4.350 0.001 0.000 0.195 258 E C 1.902 178.400 176.600 -0.170 0.000 1.010 258 E CA 0.560 56.780 56.400 -0.300 0.000 0.856 258 E CB 0.099 29.354 29.700 -0.742 0.000 0.795 258 E HN 0.469 nan 8.360 nan 0.000 0.504 259 L N -0.375 120.835 121.223 -0.022 0.000 2.513 259 L HA 0.141 4.482 4.340 0.001 0.000 0.222 259 L C 0.985 177.924 176.870 0.115 0.000 1.096 259 L CA 0.568 55.427 54.840 0.032 0.000 0.857 259 L CB 0.085 42.188 42.059 0.074 0.000 1.026 259 L HN 0.087 nan 8.230 nan 0.000 0.469 260 Y N -0.480 119.788 120.300 -0.054 0.000 2.435 260 Y HA 0.515 5.066 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 0.181 58.249 58.100 -0.055 0.000 1.243 260 Y CB -0.536 37.879 38.460 -0.076 0.000 1.107 260 Y HN -0.055 nan 8.280 nan 0.000 0.496 261 A N 2.026 124.956 122.820 0.183 0.000 2.320 261 A HA 0.305 4.625 4.320 0.001 0.000 0.287 261 A C -1.958 175.697 177.584 0.119 0.000 1.181 261 A CA -1.146 50.959 52.037 0.114 0.000 0.831 261 A CB -0.117 18.942 19.000 0.098 0.000 1.102 261 A HN 0.313 nan 8.150 nan 0.000 0.513 262 P HA -0.019 nan 4.420 nan 0.000 0.234 262 P C 0.361 177.769 177.300 0.180 0.000 1.175 262 P CA 0.619 63.780 63.100 0.103 0.000 0.801 262 P CB 0.600 32.330 31.700 0.049 0.000 0.891 263 D N -0.673 119.822 120.400 0.159 0.000 2.202 263 D HA 0.010 4.650 4.640 0.001 0.000 0.214 263 D C 1.961 178.385 176.300 0.207 0.000 0.967 263 D CA 0.754 54.852 54.000 0.164 0.000 0.871 263 D CB -0.115 40.747 40.800 0.104 0.000 1.020 263 D HN -0.165 nan 8.370 nan 0.000 0.474 264 M N 0.449 120.165 119.600 0.193 0.000 2.255 264 M HA -0.176 4.304 4.480 0.001 0.000 0.259 264 M C 2.078 178.506 176.300 0.215 0.000 1.071 264 M CA 0.827 56.264 55.300 0.229 0.000 1.074 264 M CB -1.094 31.602 32.600 0.162 0.000 1.384 264 M HN 0.098 nan 8.290 nan 0.000 0.415 265 F N 1.132 121.150 119.950 0.113 0.000 2.084 265 F HA -0.213 4.314 4.527 0.001 0.000 0.296 265 F C 2.281 178.140 175.800 0.100 0.000 1.111 265 F CA 2.106 60.182 58.000 0.127 0.000 1.224 265 F CB -0.382 38.681 39.000 0.106 0.000 0.991 265 F HN 0.118 nan 8.300 nan 0.000 0.471 266 E N -0.534 119.738 120.200 0.120 0.000 2.153 266 E HA -0.246 4.105 4.350 0.001 0.000 0.194 266 E C 2.061 178.620 176.600 -0.068 0.000 0.988 266 E CA 1.481 57.873 56.400 -0.014 0.000 0.811 266 E CB -0.818 28.988 29.700 0.178 0.000 0.746 266 E HN 0.599 nan 8.360 nan 0.000 0.466 267 Y N 0.375 120.610 120.300 -0.109 0.000 2.089 267 Y HA -0.219 4.332 4.550 0.001 0.000 0.282 267 Y C 1.978 177.739 175.900 -0.231 0.000 1.139 267 Y CA 1.903 59.945 58.100 -0.097 0.000 1.123 267 Y CB -0.540 37.919 38.460 -0.002 0.000 0.980 267 Y HN 0.050 nan 8.280 nan 0.000 0.493 268 M N 0.622 119.953 119.600 -0.447 0.000 2.108 268 M HA -0.271 4.209 4.480 0.001 0.000 0.261 268 M C 2.125 177.784 176.300 -1.068 0.000 1.066 268 M CA 1.606 56.411 55.300 -0.825 0.000 1.107 268 M CB -1.527 30.577 32.600 -0.827 0.000 1.356 268 M HN 0.456 nan 8.290 nan 0.000 0.406 269 N N 0.681 118.815 118.700 -0.943 0.000 2.043 269 N HA -0.206 4.534 4.740 0.001 0.000 0.193 269 N C 1.667 176.880 175.510 -0.496 0.000 1.037 269 N CA 1.620 54.216 53.050 -0.757 0.000 0.851 269 N CB -0.049 38.047 38.487 -0.652 0.000 1.027 269 N HN 0.204 nan 8.380 nan 0.000 0.422 270 K N 1.137 121.319 120.400 -0.364 0.000 2.063 270 K HA -0.032 4.289 4.320 0.001 0.000 0.208 270 K C 2.258 178.649 176.600 -0.349 0.000 1.048 270 K CA 0.869 57.011 56.287 -0.243 0.000 0.928 270 K CB -0.407 32.022 32.500 -0.119 0.000 0.713 270 K HN 0.185 nan 8.250 nan 0.000 0.442 271 L N 0.416 121.305 121.223 -0.557 0.000 2.043 271 L HA -0.243 4.098 4.340 0.001 0.000 0.212 271 L C 2.632 178.942 176.870 -0.933 0.000 1.075 271 L CA 1.962 56.305 54.840 -0.829 0.000 0.752 271 L CB -0.480 40.865 42.059 -1.190 0.000 0.891 271 L HN 0.452 nan 8.230 nan 0.000 0.432 272 E N 0.301 120.032 120.200 -0.781 0.000 2.107 272 E HA -0.212 4.138 4.350 0.001 0.000 0.191 272 E C 2.137 178.614 176.600 -0.204 0.000 0.982 272 E CA 0.779 56.934 56.400 -0.408 0.000 0.809 272 E CB 0.161 29.700 29.700 -0.269 0.000 0.756 272 E HN 0.351 nan 8.360 nan 0.000 0.459 273 K N -1.089 119.182 120.400 -0.216 0.000 2.144 273 K HA -0.186 4.134 4.320 0.001 0.000 0.209 273 K C 1.464 178.022 176.600 -0.069 0.000 1.047 273 K CA 1.388 57.608 56.287 -0.112 0.000 0.927 273 K CB -0.050 32.385 32.500 -0.109 0.000 0.716 273 K HN 0.345 nan 8.250 nan 0.000 0.454 274 G N -1.919 106.827 108.800 -0.090 0.000 4.491 274 G HA2 -0.054 3.906 3.960 0.001 0.000 0.216 274 G HA3 -0.054 3.906 3.960 0.001 0.000 0.216 274 G C 0.922 175.814 174.900 -0.015 0.000 0.705 274 G CA 0.101 45.187 45.100 -0.024 0.000 0.832 274 G HN 0.316 nan 8.290 nan 0.000 0.602 275 G N 0.714 109.456 108.800 -0.097 0.000 2.462 275 G HA2 -0.088 3.872 3.960 0.001 0.000 0.220 275 G HA3 -0.088 3.872 3.960 0.001 0.000 0.220 275 G C 1.428 176.397 174.900 0.114 0.000 1.121 275 G CA 1.125 46.187 45.100 -0.062 0.000 0.758 275 G HN 0.453 nan 8.290 nan 0.000 0.559 276 F N 0.064 120.013 119.950 -0.001 0.000 2.335 276 F HA 0.091 4.619 4.527 0.000 0.000 0.296 276 F C 2.601 178.406 175.800 0.008 0.000 1.091 276 F CA 0.730 58.740 58.000 0.016 0.000 1.399 276 F CB 0.203 39.226 39.000 0.037 0.000 1.067 276 F HN 0.233 nan 8.300 nan 0.000 0.520 277 E N 1.101 121.418 120.200 0.195 0.000 2.338 277 E HA -0.147 4.203 4.350 0.001 0.000 0.197 277 E C 1.630 178.275 176.600 0.075 0.000 1.007 277 E CA 0.507 56.970 56.400 0.105 0.000 0.849 277 E CB 0.184 29.928 29.700 0.073 0.000 0.774 277 E HN 0.375 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 -0.173 4.148 4.320 0.001 0.000 0.227 278 K C 2.073 178.700 176.600 0.045 0.000 1.030 278 K CA 1.771 58.093 56.287 0.058 0.000 1.042 278 K CB -0.421 32.118 32.500 0.066 0.000 0.749 278 K HN 0.163 nan 8.250 nan 0.000 0.445 279 I N 0.998 121.599 120.570 0.051 0.000 2.367 279 I HA -0.253 3.917 4.170 0.001 0.000 0.256 279 I C 2.163 178.281 176.117 0.001 0.000 1.132 279 I CA 1.445 62.755 61.300 0.017 0.000 1.397 279 I CB -1.789 36.217 38.000 0.010 0.000 1.074 279 I HN 0.185 nan 8.210 nan 0.000 0.435 280 S N -0.136 115.574 115.700 0.016 0.000 2.727 280 S HA -0.052 4.418 4.470 0.001 0.000 0.226 280 S C 1.444 176.045 174.600 0.001 0.000 0.963 280 S CA 0.604 58.805 58.200 0.001 0.000 0.950 280 S CB -0.116 63.094 63.200 0.017 0.000 0.779 280 S HN 0.474 nan 8.310 nan 0.000 0.532 281 E N 0.003 120.204 120.200 0.002 0.000 3.155 281 E HA 0.064 4.414 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 0.968 57.368 56.400 -0.000 0.000 1.522 281 E CB -0.440 29.265 29.700 0.008 0.000 1.433 281 E HN 0.551 nan 8.360 nan 0.000 0.709 282 S N 0.774 116.471 115.700 -0.006 0.000 2.537 282 S HA -0.069 4.401 4.470 0.001 0.000 0.240 282 S C 1.732 176.320 174.600 -0.021 0.000 0.981 282 S CA 0.787 58.980 58.200 -0.011 0.000 0.948 282 S CB -0.022 63.173 63.200 -0.008 0.000 0.759 282 S HN 0.011 nan 8.310 nan 0.000 0.531 283 L N 0.305 121.513 121.223 -0.025 0.000 2.425 283 L HA 0.440 4.780 4.340 0.001 0.000 0.215 283 L C 2.360 179.209 176.870 -0.035 0.000 1.065 283 L CA 0.886 55.704 54.840 -0.037 0.000 0.842 283 L CB -0.476 41.553 42.059 -0.050 0.000 1.033 283 L HN 0.177 nan 8.230 nan 0.000 0.474 284 K N 0.943 121.327 120.400 -0.027 0.000 2.025 284 K HA -0.173 4.147 4.320 0.001 0.000 0.207 284 K C 2.061 178.648 176.600 -0.022 0.000 1.049 284 K CA 1.675 57.947 56.287 -0.024 0.000 0.933 284 K CB -0.041 32.450 32.500 -0.016 0.000 0.714 284 K HN 0.326 nan 8.250 nan 0.000 0.438 285 K N 0.214 120.603 120.400 -0.018 0.000 2.002 285 K HA -0.188 4.132 4.320 0.001 0.000 0.209 285 K C 1.926 178.514 176.600 -0.020 0.000 1.048 285 K CA 1.817 58.094 56.287 -0.017 0.000 0.930 285 K CB -0.447 32.045 32.500 -0.013 0.000 0.714 285 K HN 0.236 nan 8.250 nan 0.000 0.438 286 E N 0.952 121.138 120.200 -0.024 0.000 2.515 286 E HA -0.061 4.289 4.350 0.001 0.000 0.201 286 E C 1.654 178.235 176.600 -0.031 0.000 1.071 286 E CA 0.393 56.777 56.400 -0.026 0.000 0.880 286 E CB -0.176 29.506 29.700 -0.029 0.000 0.828 286 E HN 0.567 nan 8.360 nan 0.000 0.540 287 G N 0.560 109.341 108.800 -0.031 0.000 2.394 287 G HA2 -0.201 3.759 3.960 0.001 0.000 0.214 287 G HA3 -0.201 3.759 3.960 0.001 0.000 0.214 287 G C 1.521 176.402 174.900 -0.032 0.000 1.176 287 G CA 1.030 46.109 45.100 -0.035 0.000 0.786 287 G HN 0.274 nan 8.290 nan 0.000 0.533 288 V N -0.887 119.010 119.914 -0.028 0.000 2.249 288 V HA 0.000 4.121 4.120 0.001 0.000 0.239 288 V C 2.263 178.342 176.094 -0.024 0.000 1.038 288 V CA 2.094 64.377 62.300 -0.027 0.000 1.005 288 V CB -1.314 30.494 31.823 -0.025 0.000 0.646 288 V HN 0.390 nan 8.190 nan 0.000 0.455 289 E N 0.858 121.046 120.200 -0.020 0.000 2.208 289 E HA -0.316 4.034 4.350 0.001 0.000 0.202 289 E C 2.073 178.662 176.600 -0.018 0.000 1.014 289 E CA 2.168 58.558 56.400 -0.016 0.000 0.819 289 E CB -0.278 29.413 29.700 -0.015 0.000 0.735 289 E HN 0.753 nan 8.360 nan 0.000 0.469 290 K N 1.123 121.509 120.400 -0.023 0.000 1.978 290 K HA -0.140 4.180 4.320 0.001 0.000 0.221 290 K C 0.568 177.153 176.600 -0.024 0.000 1.036 290 K CA 1.231 57.503 56.287 -0.025 0.000 0.996 290 K CB -0.136 32.345 32.500 -0.031 0.000 0.755 290 K HN -0.113 nan 8.250 nan 0.000 0.445 291 D N 1.292 121.674 120.400 -0.028 0.000 2.348 291 D HA 0.074 4.715 4.640 0.001 0.000 0.259 291 D C -0.127 176.156 176.300 -0.029 0.000 1.296 291 D CA 0.291 54.274 54.000 -0.029 0.000 0.931 291 D CB 0.385 41.165 40.800 -0.033 0.000 1.067 291 D HN 0.173 nan 8.370 nan 0.000 0.503 292 R N 2.382 122.868 120.500 -0.023 0.000 3.176 292 R HA 0.543 4.883 4.340 0.001 0.000 0.247 292 R C -0.639 175.653 176.300 -0.014 0.000 1.382 292 R CA -0.776 55.312 56.100 -0.020 0.000 1.040 292 R CB 0.610 30.906 30.300 -0.007 0.000 1.426 292 R HN 0.292 nan 8.270 nan 0.000 0.485 293 I N 2.011 122.584 120.570 0.005 0.000 2.328 293 I HA 0.125 4.295 4.170 0.001 0.000 0.287 293 I C -0.234 175.902 176.117 0.032 0.000 1.012 293 I CA -0.710 60.602 61.300 0.020 0.000 1.195 293 I CB 1.340 39.375 38.000 0.057 0.000 1.350 293 I HN 0.307 nan 8.210 nan 0.000 0.464 294 D N 7.432 127.838 120.400 0.009 0.000 2.376 294 D HA 0.143 4.783 4.640 0.001 0.000 0.278 294 D C -0.469 175.831 176.300 -0.000 0.000 1.384 294 D CA 0.282 54.284 54.000 0.004 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 1.675 121.589 119.914 0.001 0.000 2.823 295 V HA 0.547 4.667 4.120 0.001 0.000 0.312 295 V C 0.081 176.163 176.094 -0.019 0.000 1.072 295 V CA -1.273 61.009 62.300 -0.030 0.000 0.937 295 V CB 1.694 33.476 31.823 -0.069 0.000 1.013 295 V HN 0.294 nan 8.190 nan 0.000 0.430 296 L N 0.923 122.136 121.223 -0.018 0.000 2.261 296 L HA 0.643 4.983 4.340 0.001 0.000 0.289 296 L C 0.127 177.000 176.870 0.005 0.000 1.059 296 L CA -0.560 54.282 54.840 0.002 0.000 0.816 296 L CB 0.036 42.105 42.059 0.016 0.000 1.191 296 L HN 0.650 nan 8.230 nan 0.000 0.431 297 K N 2.245 122.647 120.400 0.003 0.000 2.179 297 K HA 0.744 5.064 4.320 0.001 0.000 0.238 297 K C 0.698 177.311 176.600 0.022 0.000 1.033 297 K CA -0.126 56.165 56.287 0.007 0.000 0.926 297 K CB 0.707 33.205 32.500 -0.003 0.000 1.151 297 K HN 0.850 nan 8.250 nan 0.000 0.492 298 G N 0.729 109.537 108.800 0.012 0.000 2.749 298 G HA2 -0.349 3.611 3.960 0.001 0.000 0.242 298 G HA3 -0.349 3.611 3.960 0.001 0.000 0.242 298 G C 0.525 175.449 174.900 0.040 0.000 1.364 298 G CA 0.438 45.508 45.100 -0.049 0.000 0.888 298 G HN 0.827 nan 8.290 nan 0.000 0.566 299 E N -0.037 120.148 120.200 -0.025 0.000 2.455 299 E HA -0.111 4.239 4.350 0.001 0.000 0.202 299 E C 2.237 178.882 176.600 0.075 0.000 1.045 299 E CA 1.417 57.848 56.400 0.052 0.000 0.872 299 E CB -0.197 29.499 29.700 -0.007 0.000 0.792 299 E HN 0.525 nan 8.360 nan 0.000 0.542 300 K N -0.524 119.910 120.400 0.057 0.000 2.211 300 K HA -0.091 4.229 4.320 0.001 0.000 0.203 300 K C 1.843 178.495 176.600 0.087 0.000 1.050 300 K CA 0.895 57.213 56.287 0.052 0.000 0.945 300 K CB 0.117 32.636 32.500 0.032 0.000 0.732 300 K HN 0.129 nan 8.250 nan 0.000 0.451 301 A N 1.153 124.064 122.820 0.152 0.000 1.887 301 A HA -0.027 4.293 4.320 0.001 0.000 0.210 301 A C 1.889 179.648 177.584 0.292 0.000 1.221 301 A CA 0.173 52.348 52.037 0.229 0.000 0.635 301 A CB -0.443 18.721 19.000 0.273 0.000 0.881 301 A HN 0.180 nan 8.150 nan 0.000 0.456 302 L N -0.304 121.161 121.223 0.403 0.000 2.468 302 L HA -0.202 4.139 4.340 0.001 0.000 0.225 302 L C 1.909 178.794 176.870 0.025 0.000 1.139 302 L CA 1.748 56.744 54.840 0.259 0.000 0.792 302 L CB -0.348 41.953 42.059 0.402 0.000 0.916 302 L HN 0.169 nan 8.230 nan 0.000 0.446 303 K N -0.744 119.688 120.400 0.054 0.000 2.044 303 K HA 0.167 4.487 4.320 0.001 0.000 0.204 303 K C 1.966 178.557 176.600 -0.015 0.000 1.045 303 K CA 1.296 57.588 56.287 0.009 0.000 0.951 303 K CB -0.503 32.011 32.500 0.025 0.000 0.738 303 K HN 0.394 nan 8.250 nan 0.000 0.443 304 A N 0.772 123.598 122.820 0.011 0.000 2.169 304 A HA -0.049 4.272 4.320 0.001 0.000 0.212 304 A C 2.174 179.737 177.584 -0.035 0.000 1.153 304 A CA 1.411 53.451 52.037 0.006 0.000 0.756 304 A CB -0.360 18.662 19.000 0.037 0.000 0.813 304 A HN 0.306 nan 8.150 nan 0.000 0.471 305 S N -0.860 114.777 115.700 -0.105 0.000 2.372 305 S HA 0.029 4.499 4.470 0.001 0.000 0.227 305 S C 1.840 176.236 174.600 -0.340 0.000 1.044 305 S CA 2.621 60.603 58.200 -0.362 0.000 1.050 305 S CB -0.434 62.152 63.200 -1.023 0.000 0.901 305 S HN 1.855 nan 8.310 nan 0.000 0.447 306 G N 0.487 109.131 108.800 -0.260 0.000 2.729 306 G HA2 -0.237 3.723 3.960 0.001 0.000 0.216 306 G HA3 -0.237 3.723 3.960 0.001 0.000 0.216 306 G C 0.002 174.774 174.900 -0.214 0.000 1.252 306 G CA 0.080 45.081 45.100 -0.166 0.000 0.751 306 G HN 0.648 nan 8.290 nan 0.000 0.527 307 L N 1.437 122.384 121.223 -0.461 0.000 2.586 307 L HA 0.276 4.616 4.340 0.001 0.000 0.307 307 L C 1.308 178.039 176.870 -0.231 0.000 1.274 307 L CA 0.534 55.047 54.840 -0.546 0.000 0.857 307 L CB 0.171 41.607 42.059 -1.038 0.000 1.099 307 L HN 0.211 nan 8.230 nan 0.000 0.525 308 V N 5.164 125.090 119.914 0.020 0.000 2.455 308 V HA 0.088 4.209 4.120 0.001 0.000 0.273 308 V C -1.239 174.752 176.094 -0.171 0.000 1.045 308 V CA -0.948 61.331 62.300 -0.035 0.000 0.976 308 V CB 1.102 32.931 31.823 0.011 0.000 0.993 308 V HN 0.733 nan 8.190 nan 0.000 0.475 309 P HA -0.218 nan 4.420 nan 0.000 0.217 309 P C 1.426 178.658 177.300 -0.114 0.000 1.158 309 P CA 1.507 64.558 63.100 -0.080 0.000 0.887 309 P CB 0.246 31.920 31.700 -0.043 0.000 0.792 310 E N -2.024 118.035 120.200 -0.234 0.000 2.209 310 E HA -0.219 4.131 4.350 0.001 0.000 0.196 310 E C 1.845 178.305 176.600 -0.234 0.000 0.993 310 E CA 1.025 57.286 56.400 -0.231 0.000 0.819 310 E CB -0.478 29.043 29.700 -0.298 0.000 0.745 310 E HN 0.574 nan 8.360 nan 0.000 0.477 311 H N 0.192 119.116 119.070 -0.243 0.000 2.276 311 H HA 0.071 4.628 4.556 0.001 0.000 0.307 311 H C 2.302 177.189 175.328 -0.735 0.000 1.061 311 H CA 0.600 56.322 56.048 -0.544 0.000 1.336 311 H CB -0.071 29.387 29.762 -0.506 0.000 1.396 311 H HN 0.149 nan 8.280 nan 0.000 0.503 312 A N 1.400 124.000 122.820 -0.366 0.000 1.915 312 A HA -0.311 4.009 4.320 0.001 0.000 0.220 312 A C 1.905 179.499 177.584 0.017 0.000 1.198 312 A CA 2.402 54.303 52.037 -0.227 0.000 0.647 312 A CB -0.646 18.183 19.000 -0.285 0.000 0.825 312 A HN 0.458 nan 8.150 nan 0.000 0.456 313 D N -0.473 119.998 120.400 0.118 0.000 2.097 313 D HA -0.059 4.581 4.640 0.001 0.000 0.195 313 D C 2.365 178.738 176.300 0.122 0.000 0.989 313 D CA 1.459 55.590 54.000 0.218 0.000 0.827 313 D CB -0.368 40.514 40.800 0.137 0.000 0.966 313 D HN 0.450 nan 8.370 nan 0.000 0.456 314 A N 0.851 123.665 122.820 -0.010 0.000 1.917 314 A HA -0.212 4.109 4.320 0.001 0.000 0.219 314 A C 2.184 179.846 177.584 0.129 0.000 1.182 314 A CA 1.293 53.331 52.037 0.002 0.000 0.633 314 A CB -1.242 17.696 19.000 -0.104 0.000 0.819 314 A HN 0.242 nan 8.150 nan 0.000 0.448 315 F N -0.378 119.630 119.950 0.096 0.000 2.102 315 F HA -0.205 4.323 4.527 0.001 0.000 0.298 315 F C 2.403 178.266 175.800 0.104 0.000 1.105 315 F CA 1.389 59.445 58.000 0.094 0.000 1.239 315 F CB -0.186 38.859 39.000 0.075 0.000 0.991 315 F HN 0.184 nan 8.300 nan 0.000 0.474 316 K N 1.124 121.723 120.400 0.332 0.000 2.163 316 K HA -0.321 3.999 4.320 0.001 0.000 0.210 316 K C 2.104 178.819 176.600 0.192 0.000 1.048 316 K CA 1.886 58.336 56.287 0.270 0.000 0.928 316 K CB -0.217 32.475 32.500 0.320 0.000 0.716 316 K HN 0.187 nan 8.250 nan 0.000 0.459 317 K N 0.390 120.897 120.400 0.179 0.000 2.001 317 K HA -0.156 4.165 4.320 0.001 0.000 0.208 317 K C 2.052 178.731 176.600 0.132 0.000 1.048 317 K CA 1.557 57.926 56.287 0.137 0.000 0.932 317 K CB -0.132 32.444 32.500 0.126 0.000 0.715 317 K HN 0.031 nan 8.250 nan 0.000 0.437 318 I N 1.982 122.647 120.570 0.158 0.000 2.118 318 I HA -0.293 3.877 4.170 0.001 0.000 0.241 318 I C 2.522 178.708 176.117 0.115 0.000 1.070 318 I CA 1.648 63.030 61.300 0.137 0.000 1.327 318 I CB -0.761 37.332 38.000 0.156 0.000 1.034 318 I HN 0.256 nan 8.210 nan 0.000 0.405 319 A N 0.695 123.586 122.820 0.119 0.000 1.870 319 A HA -0.325 3.995 4.320 0.001 0.000 0.219 319 A C 2.470 180.096 177.584 0.070 0.000 1.224 319 A CA 2.534 54.620 52.037 0.082 0.000 0.650 319 A CB -0.874 18.164 19.000 0.064 0.000 0.836 319 A HN 0.379 nan 8.150 nan 0.000 0.454 320 R N -1.025 119.518 120.500 0.071 0.000 2.103 320 R HA -0.199 4.141 4.340 0.001 0.000 0.234 320 R C 2.441 178.777 176.300 0.061 0.000 1.132 320 R CA 1.693 57.828 56.100 0.059 0.000 0.925 320 R CB -0.643 29.693 30.300 0.060 0.000 0.842 320 R HN 0.831 nan 8.270 nan 0.000 0.430 321 E N 1.018 121.258 120.200 0.067 0.000 2.068 321 E HA -0.248 4.103 4.350 0.001 0.000 0.207 321 E C 1.903 178.536 176.600 0.055 0.000 1.032 321 E CA 1.685 58.121 56.400 0.060 0.000 0.839 321 E CB -0.110 29.631 29.700 0.068 0.000 0.758 321 E HN 0.310 nan 8.360 nan 0.000 0.457 322 L N 0.073 121.337 121.223 0.069 0.000 2.418 322 L HA 0.038 4.379 4.340 0.001 0.000 0.218 322 L C 0.864 177.776 176.870 0.070 0.000 1.125 322 L CA 0.493 55.374 54.840 0.067 0.000 0.835 322 L CB -0.470 41.644 42.059 0.091 0.000 0.953 322 L HN 0.360 nan 8.230 nan 0.000 0.454 323 N N 1.083 119.836 118.700 0.088 0.000 2.621 323 N HA -0.164 4.576 4.740 0.001 0.000 0.269 323 N C -0.452 175.198 175.510 0.232 0.000 1.154 323 N CA 0.486 53.614 53.050 0.130 0.000 0.696 323 N CB -0.379 38.156 38.487 0.081 0.000 0.878 323 N HN 0.393 nan 8.380 nan 0.000 0.550 324 T N -0.263 114.421 114.554 0.216 0.000 3.291 324 T HA 0.316 4.666 4.350 0.001 0.000 0.344 324 T C -0.668 174.152 174.700 0.200 0.000 1.293 324 T CA -0.707 61.569 62.100 0.294 0.000 1.108 324 T CB 0.578 69.579 68.868 0.221 0.000 1.231 324 T HN 0.194 nan 8.240 nan 0.000 0.474 325 Y N 2.588 122.906 120.300 0.030 0.000 2.511 325 Y HA 0.498 5.048 4.550 0.000 0.000 0.332 325 Y C 0.782 176.696 175.900 0.024 0.000 1.177 325 Y CA -0.745 57.350 58.100 -0.009 0.000 1.422 325 Y CB 0.383 38.807 38.460 -0.060 0.000 1.271 325 Y HN 0.572 nan 8.280 nan 0.000 0.550 326 I N 5.110 125.744 120.570 0.106 0.000 2.389 326 I HA 0.290 4.461 4.170 0.001 0.000 0.288 326 I C -1.233 174.857 176.117 -0.045 0.000 0.999 326 I CA -0.642 60.647 61.300 -0.019 0.000 1.129 326 I CB 1.039 39.014 38.000 -0.043 0.000 1.288 326 I HN 0.257 nan 8.210 nan 0.000 0.444 327 L N 6.750 127.896 121.223 -0.130 0.000 2.346 327 L HA 0.611 4.951 4.340 0.001 0.000 0.274 327 L C -0.768 175.983 176.870 -0.198 0.000 1.007 327 L CA -0.151 54.674 54.840 -0.025 0.000 0.818 327 L CB 1.246 43.377 42.059 0.121 0.000 1.284 327 L HN 0.278 nan 8.230 nan 0.000 0.424 328 F N 0.664 120.706 119.950 0.154 0.000 2.561 328 F HA 0.670 5.197 4.527 0.001 0.000 0.321 328 F C 0.566 176.471 175.800 0.175 0.000 1.065 328 F CA -0.883 57.209 58.000 0.153 0.000 0.934 328 F CB 1.563 40.597 39.000 0.057 0.000 1.215 328 F HN 0.290 nan 8.300 nan 0.000 0.471 329 R N 0.751 121.479 120.500 0.380 0.000 2.541 329 R HA 0.433 4.773 4.340 0.001 0.000 0.254 329 R C -2.567 173.867 176.300 0.225 0.000 1.130 329 R CA -1.768 54.513 56.100 0.301 0.000 1.152 329 R CB 0.127 30.608 30.300 0.302 0.000 1.222 329 R HN 0.227 nan 8.270 nan 0.000 0.579 330 P HA 0.012 nan 4.420 nan 0.000 0.267 330 P C -0.887 176.472 177.300 0.099 0.000 1.209 330 P CA 0.076 63.240 63.100 0.106 0.000 0.763 330 P CB 0.470 32.229 31.700 0.100 0.000 0.816 331 V N 3.731 123.674 119.914 0.049 0.000 2.364 331 V HA 0.193 4.313 4.120 0.001 0.000 0.272 331 V C 0.778 176.899 176.094 0.046 0.000 1.036 331 V CA -0.999 61.345 62.300 0.074 0.000 0.880 331 V CB 0.534 32.395 31.823 0.063 0.000 0.991 331 V HN 0.539 nan 8.190 nan 0.000 0.460 332 N N 3.859 122.593 118.700 0.057 0.000 2.219 332 N HA -0.074 4.666 4.740 0.001 0.000 0.263 332 N C 1.029 176.553 175.510 0.023 0.000 1.269 332 N CA 0.316 53.390 53.050 0.040 0.000 0.831 332 N CB 0.885 39.396 38.487 0.040 0.000 1.059 332 N HN 0.604 nan 8.380 nan 0.000 0.475 333 K N 3.066 123.476 120.400 0.017 0.000 2.097 333 K HA -0.056 4.264 4.320 0.001 0.000 0.206 333 K C 1.189 177.793 176.600 0.007 0.000 1.049 333 K CA 0.867 57.158 56.287 0.007 0.000 0.933 333 K CB -0.046 32.459 32.500 0.008 0.000 0.717 333 K HN 0.395 nan 8.250 nan 0.000 0.442 334 L N -0.010 121.221 121.223 0.013 0.000 2.786 334 L HA -0.005 4.335 4.340 0.001 0.000 0.250 334 L C 1.101 177.963 176.870 -0.014 0.000 1.151 334 L CA 0.860 55.705 54.840 0.008 0.000 0.910 334 L CB -0.930 41.142 42.059 0.022 0.000 1.082 334 L HN 0.210 nan 8.230 nan 0.000 0.433 335 A N -3.339 119.470 122.820 -0.019 0.000 2.530 335 A HA 0.120 4.440 4.320 0.001 0.000 0.214 335 A C 1.882 179.452 177.584 -0.024 0.000 1.352 335 A CA 0.461 52.467 52.037 -0.051 0.000 1.035 335 A CB -0.100 18.869 19.000 -0.052 0.000 1.296 335 A HN 0.266 nan 8.150 nan 0.000 0.563 336 T N 1.757 116.312 114.554 0.001 0.000 2.624 336 T HA -0.211 4.139 4.350 0.001 0.000 0.268 336 T C 1.716 176.427 174.700 0.019 0.000 1.041 336 T CA 2.060 64.171 62.100 0.019 0.000 1.159 336 T CB -0.331 68.536 68.868 -0.001 0.000 0.863 336 T HN 0.525 nan 8.240 nan 0.000 0.434 337 N N 1.043 119.742 118.700 -0.001 0.000 2.290 337 N HA 0.134 4.874 4.740 0.001 0.000 0.179 337 N C 2.001 177.509 175.510 -0.003 0.000 1.016 337 N CA 0.512 53.562 53.050 -0.000 0.000 0.871 337 N CB -0.396 38.089 38.487 -0.004 0.000 0.987 337 N HN 0.336 nan 8.380 nan 0.000 0.431 338 L N 1.097 122.297 121.223 -0.039 0.000 2.189 338 L HA -0.149 4.191 4.340 0.001 0.000 0.214 338 L C 2.126 178.972 176.870 -0.039 0.000 1.097 338 L CA 0.888 55.675 54.840 -0.089 0.000 0.764 338 L CB -0.459 41.456 42.059 -0.241 0.000 0.900 338 L HN 0.132 nan 8.230 nan 0.000 0.436 339 I N -0.035 120.542 120.570 0.011 0.000 2.130 339 I HA -0.284 3.887 4.170 0.001 0.000 0.234 339 I C 2.680 178.932 176.117 0.225 0.000 1.067 339 I CA 1.220 62.590 61.300 0.117 0.000 1.339 339 I CB -0.326 37.711 38.000 0.061 0.000 1.073 339 I HN 0.167 nan 8.210 nan 0.000 0.405 340 K N 0.919 121.418 120.400 0.165 0.000 2.107 340 K HA -0.292 4.028 4.320 0.001 0.000 0.211 340 K C 2.285 178.931 176.600 0.077 0.000 1.049 340 K CA 2.151 58.514 56.287 0.126 0.000 0.927 340 K CB -0.224 32.278 32.500 0.003 0.000 0.714 340 K HN 0.254 nan 8.250 nan 0.000 0.452 341 S N -1.193 114.528 115.700 0.035 0.000 2.368 341 S HA -0.160 4.310 4.470 0.001 0.000 0.226 341 S C 1.352 175.924 174.600 -0.046 0.000 1.044 341 S CA 2.116 60.313 58.200 -0.004 0.000 1.062 341 S CB -0.414 62.785 63.200 -0.002 0.000 0.931 341 S HN 0.699 nan 8.310 nan 0.000 0.440 342 G N -0.762 107.996 108.800 -0.070 0.000 2.276 342 G HA2 -0.046 3.914 3.960 0.001 0.000 0.177 342 G HA3 -0.046 3.914 3.960 0.001 0.000 0.177 342 G C -0.195 174.564 174.900 -0.235 0.000 1.017 342 G CA -0.118 44.823 45.100 -0.264 0.000 0.750 342 G HN 0.627 nan 8.290 nan 0.000 0.506 343 V N 1.636 121.496 119.914 -0.089 0.000 2.637 343 V HA 0.614 4.735 4.120 0.001 0.000 0.296 343 V C 1.254 177.349 176.094 0.002 0.000 1.046 343 V CA 0.205 62.462 62.300 -0.072 0.000 1.066 343 V CB 1.030 32.770 31.823 -0.137 0.000 0.968 343 V HN 0.879 nan 8.190 nan 0.000 0.483 344 A N 4.349 127.165 122.820 -0.007 0.000 2.296 344 A HA 0.648 4.968 4.320 0.001 0.000 0.264 344 A C 0.598 178.186 177.584 0.007 0.000 1.097 344 A CA 0.032 52.110 52.037 0.068 0.000 0.811 344 A CB 0.248 19.258 19.000 0.016 0.000 1.072 344 A HN 0.988 nan 8.150 nan 0.000 0.495 345 T N -1.008 113.530 114.554 -0.026 0.000 2.925 345 T HA 0.521 4.871 4.350 0.001 0.000 0.285 345 T C -0.188 174.457 174.700 -0.091 0.000 1.021 345 T CA -0.858 61.182 62.100 -0.099 0.000 1.042 345 T CB 1.031 69.784 68.868 -0.192 0.000 1.037 345 T HN 0.715 nan 8.240 nan 0.000 0.481 346 K N 1.296 121.645 120.400 -0.084 0.000 2.447 346 K HA 0.389 4.710 4.320 0.001 0.000 0.281 346 K C 0.813 177.357 176.600 -0.094 0.000 1.031 346 K CA -0.207 56.033 56.287 -0.078 0.000 1.019 346 K CB -0.227 32.237 32.500 -0.059 0.000 0.918 346 K HN 0.821 nan 8.250 nan 0.000 0.476 347 G N 2.998 111.733 108.800 -0.108 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 0.541 175.380 174.900 -0.102 0.000 1.434 347 G CA -0.584 44.452 45.100 -0.107 0.000 1.057 347 G HN 0.628 nan 8.290 nan 0.000 0.570 348 L N 0.682 121.849 121.223 -0.094 0.000 2.307 348 L HA 0.056 4.397 4.340 0.001 0.000 0.211 348 L C 2.706 179.396 176.870 -0.302 0.000 1.099 348 L CA 0.615 55.381 54.840 -0.123 0.000 0.816 348 L CB -0.250 41.809 42.059 -0.000 0.000 0.952 348 L HN 0.646 nan 8.230 nan 0.000 0.455 349 N N 0.095 118.623 118.700 -0.287 0.000 2.205 349 N HA -0.112 4.628 4.740 0.001 0.000 0.186 349 N C 0.527 175.837 175.510 -0.333 0.000 1.015 349 N CA 0.688 53.496 53.050 -0.404 0.000 0.862 349 N CB -0.229 37.925 38.487 -0.555 0.000 0.986 349 N HN 0.133 nan 8.380 nan 0.000 0.429 350 V N 0.990 120.693 119.914 -0.351 0.000 2.483 350 V HA 0.164 4.284 4.120 0.001 0.000 0.295 350 V C -0.588 175.228 176.094 -0.462 0.000 1.035 350 V CA -0.553 61.587 62.300 -0.266 0.000 0.896 350 V CB 1.365 33.112 31.823 -0.126 0.000 0.986 350 V HN 0.235 nan 8.190 nan 0.000 0.447 351 H N 1.758 120.814 119.070 -0.023 0.000 2.575 351 H HA 0.433 4.989 4.556 0.000 0.000 0.256 351 H C 0.866 176.177 175.328 -0.028 0.000 1.162 351 H CA 0.179 56.205 56.048 -0.037 0.000 0.969 351 H CB 0.765 30.492 29.762 -0.059 0.000 1.796 351 H HN 0.790 nan 8.280 nan 0.000 0.607 352 G N 0.573 109.398 108.800 0.041 0.000 2.572 352 G HA2 0.246 4.206 3.960 0.001 0.000 0.261 352 G HA3 0.246 4.206 3.960 0.001 0.000 0.261 352 G C -0.227 174.693 174.900 0.033 0.000 1.197 352 G CA -0.742 44.377 45.100 0.031 0.000 0.870 352 G HN 0.032 nan 8.290 nan 0.000 0.548 353 K N 0.744 121.167 120.400 0.039 0.000 2.172 353 K HA 0.331 4.651 4.320 0.001 0.000 0.276 353 K C 0.679 177.315 176.600 0.061 0.000 1.013 353 K CA -0.397 55.921 56.287 0.052 0.000 0.913 353 K CB 1.662 34.201 32.500 0.064 0.000 1.055 353 K HN 0.441 nan 8.250 nan 0.000 0.461 354 S N 1.067 116.803 115.700 0.060 0.000 2.618 354 S HA 0.195 4.666 4.470 0.001 0.000 0.254 354 S C 0.142 174.794 174.600 0.086 0.000 1.284 354 S CA -0.137 58.100 58.200 0.062 0.000 0.975 354 S CB 0.503 63.733 63.200 0.050 0.000 1.022 354 S HN 0.602 nan 8.310 nan 0.000 0.571 355 S N -0.904 114.843 115.700 0.078 0.000 2.607 355 S HA 0.544 5.015 4.470 0.001 0.000 0.273 355 S C -2.076 172.589 174.600 0.108 0.000 1.148 355 S CA -0.467 57.796 58.200 0.105 0.000 0.833 355 S CB 1.318 64.497 63.200 -0.036 0.000 1.130 355 S HN 0.781 nan 8.310 nan 0.000 0.470 356 D N 1.336 121.879 120.400 0.238 0.000 2.837 356 D HA 0.282 4.922 4.640 0.001 0.000 0.340 356 D C -0.267 176.228 176.300 0.325 0.000 1.451 356 D CA -0.261 53.870 54.000 0.217 0.000 0.798 356 D CB -0.247 40.670 40.800 0.195 0.000 1.169 356 D HN 0.544 nan 8.370 nan 0.000 0.449 357 W N -0.586 120.693 121.300 -0.036 0.000 3.319 357 W HA 0.487 5.147 4.660 0.000 0.000 0.300 357 W C 0.071 176.501 176.519 -0.149 0.000 1.244 357 W CA -0.806 56.494 57.345 -0.076 0.000 1.193 357 W CB 0.392 29.809 29.460 -0.071 0.000 1.359 357 W HN 0.459 nan 8.180 nan 0.000 0.568 358 G N 1.979 110.631 108.800 -0.247 0.000 2.782 358 G HA2 -0.209 3.751 3.960 0.001 0.000 0.228 358 G HA3 -0.209 3.751 3.960 0.001 0.000 0.228 358 G C -1.195 173.386 174.900 -0.531 0.000 1.372 358 G CA -0.102 44.627 45.100 -0.618 0.000 0.862 358 G HN 0.527 nan 8.290 nan 0.000 0.547 359 P HA -0.122 nan 4.420 nan 0.000 0.215 359 P C 2.061 179.171 177.300 -0.317 0.000 1.157 359 P CA 2.333 65.225 63.100 -0.346 0.000 0.868 359 P CB -0.128 31.404 31.700 -0.280 0.000 0.788 360 V N 0.564 120.229 119.914 -0.414 0.000 2.568 360 V HA -0.101 4.019 4.120 0.001 0.000 0.253 360 V C 1.224 177.232 176.094 -0.144 0.000 1.072 360 V CA 1.195 63.289 62.300 -0.344 0.000 1.084 360 V CB -1.728 29.877 31.823 -0.365 0.000 0.676 360 V HN 0.198 nan 8.190 nan 0.000 0.469 361 A N 0.221 122.909 122.820 -0.220 0.000 2.602 361 A HA 0.290 4.610 4.320 0.001 0.000 0.257 361 A C 1.607 179.236 177.584 0.076 0.000 0.973 361 A CA 1.059 53.043 52.037 -0.090 0.000 0.862 361 A CB -1.333 17.611 19.000 -0.094 0.000 0.855 361 A HN 2.099 nan 8.150 nan 0.000 0.492 362 G N 0.914 109.748 108.800 0.056 0.000 2.157 362 G HA2 -0.219 3.742 3.960 0.001 0.000 0.239 362 G HA3 -0.219 3.742 3.960 0.001 0.000 0.239 362 G C -0.123 174.747 174.900 -0.049 0.000 0.982 362 G CA 0.585 45.691 45.100 0.009 0.000 0.650 362 G HN 1.052 nan 8.290 nan 0.000 0.527 363 Y N -0.580 119.688 120.300 -0.054 0.000 2.630 363 Y HA 0.693 5.243 4.550 0.000 0.000 0.337 363 Y C 0.590 176.470 175.900 -0.034 0.000 1.051 363 Y CA -1.496 56.578 58.100 -0.043 0.000 1.121 363 Y CB 1.196 39.621 38.460 -0.059 0.000 1.299 363 Y HN 0.019 nan 8.280 nan 0.000 0.498 364 I N 4.144 124.811 120.570 0.163 0.000 2.317 364 I HA 0.197 4.367 4.170 0.001 0.000 0.286 364 I C -2.580 173.594 176.117 0.096 0.000 1.119 364 I CA -2.609 58.748 61.300 0.095 0.000 1.228 364 I CB -0.523 37.517 38.000 0.067 0.000 1.476 364 I HN 0.210 nan 8.210 nan 0.000 0.514 365 P HA -0.132 nan 4.420 nan 0.000 0.258 365 P C 0.921 178.265 177.300 0.073 0.000 1.172 365 P CA 0.201 63.325 63.100 0.040 0.000 0.762 365 P CB 0.550 32.245 31.700 -0.009 0.000 0.764 366 F N 3.872 123.824 119.950 0.004 0.000 2.202 366 F HA -0.179 4.348 4.527 0.000 0.000 0.301 366 F C 0.720 176.553 175.800 0.055 0.000 1.082 366 F CA 1.171 59.187 58.000 0.026 0.000 1.313 366 F CB -0.255 38.752 39.000 0.012 0.000 1.024 366 F HN 0.212 nan 8.300 nan 0.000 0.495 367 D N 0.340 120.768 120.400 0.047 0.000 2.316 367 D HA 0.061 4.701 4.640 0.001 0.000 0.245 367 D C 0.911 177.243 176.300 0.053 0.000 1.171 367 D CA -0.058 53.971 54.000 0.049 0.000 0.856 367 D CB 0.897 41.838 40.800 0.236 0.000 1.090 367 D HN 0.121 nan 8.370 nan 0.000 0.476 368 Q N 2.558 122.368 119.800 0.016 0.000 2.378 368 Q HA -0.085 4.255 4.340 0.001 0.000 0.205 368 Q C 0.697 176.816 176.000 0.198 0.000 0.954 368 Q CA 0.639 56.488 55.803 0.075 0.000 0.901 368 Q CB 0.108 28.858 28.738 0.021 0.000 0.981 368 Q HN 0.674 nan 8.270 nan 0.000 0.483 369 D N -0.080 120.490 120.400 0.283 0.000 2.378 369 D HA -0.071 4.569 4.640 0.001 0.000 0.222 369 D C 0.976 177.603 176.300 0.544 0.000 0.980 369 D CA 0.370 54.623 54.000 0.421 0.000 0.907 369 D CB 0.095 41.188 40.800 0.488 0.000 0.899 369 D HN 0.130 nan 8.370 nan 0.000 0.527 370 L N -0.015 121.469 121.223 0.434 0.000 2.741 370 L HA 0.226 4.566 4.340 0.001 0.000 0.237 370 L C 0.266 177.272 176.870 0.227 0.000 1.178 370 L CA -0.273 54.773 54.840 0.344 0.000 0.973 370 L CB 0.040 42.181 42.059 0.137 0.000 1.255 370 L HN 0.037 nan 8.230 nan 0.000 0.498 371 S N -2.495 113.423 115.700 0.363 0.000 2.751 371 S HA 0.298 4.768 4.470 0.001 0.000 0.310 371 S C 0.973 175.844 174.600 0.452 0.000 1.128 371 S CA -0.659 57.736 58.200 0.325 0.000 0.931 371 S CB 1.548 64.855 63.200 0.178 0.000 1.177 371 S HN 0.238 nan 8.310 nan 0.000 0.530 372 K N 0.670 121.265 120.400 0.324 0.000 2.071 372 K HA -0.185 4.135 4.320 0.001 0.000 0.217 372 K C 0.503 177.204 176.600 0.168 0.000 1.054 372 K CA 1.476 57.903 56.287 0.233 0.000 0.937 372 K CB -0.586 32.003 32.500 0.148 0.000 0.719 372 K HN 0.309 nan 8.250 nan 0.000 0.454 373 K N 2.140 122.628 120.400 0.148 0.000 3.387 373 K HA -0.036 4.285 4.320 0.001 0.000 0.300 373 K C -0.480 176.198 176.600 0.130 0.000 0.980 373 K CA 0.162 56.508 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 0.423 nan 8.250 nan 0.000 0.367 374 H N 0.051 119.141 119.070 0.034 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 -0.072 0.000 1.113 374 H CA 1.115 57.162 56.048 -0.001 0.000 1.479 374 H CB 0.081 29.775 29.762 -0.114 0.000 1.493 374 H HN 0.573 nan 8.280 nan 0.000 0.486 375 G N 4.105 112.725 108.800 -0.301 0.000 2.391 375 G HA2 -0.250 3.710 3.960 0.001 0.000 0.204 375 G HA3 -0.250 3.710 3.960 0.001 0.000 0.204 375 G C 0.276 175.095 174.900 -0.135 0.000 1.012 375 G CA -0.148 44.761 45.100 -0.318 0.000 0.651 375 G HN 0.579 nan 8.290 nan 0.000 0.494 376 Q N 1.892 121.648 119.800 -0.073 0.000 2.684 376 Q HA 0.286 4.626 4.340 0.001 0.000 0.233 376 Q C 1.588 177.578 176.000 -0.017 0.000 1.352 376 Q CA 0.293 56.075 55.803 -0.034 0.000 0.872 376 Q CB 0.491 29.224 28.738 -0.008 0.000 1.674 376 Q HN 0.574 nan 8.270 nan 0.000 0.558 377 Q N 1.033 120.816 119.800 -0.028 0.000 2.458 377 Q HA -0.213 4.127 4.340 0.001 0.000 0.215 377 Q C 0.515 176.514 176.000 -0.001 0.000 0.989 377 Q CA 1.170 56.966 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 0.577 nan 8.270 nan 0.000 0.475 378 L N -1.404 119.817 121.223 -0.003 0.000 2.577 378 L HA 0.243 4.583 4.340 0.001 0.000 0.225 378 L C 1.944 178.816 176.870 0.003 0.000 1.053 378 L CA 1.043 55.883 54.840 -0.000 0.000 0.866 378 L CB -0.201 41.856 42.059 -0.004 0.000 1.132 378 L HN 0.058 nan 8.230 nan 0.000 0.486 379 A N -0.824 122.000 122.820 0.005 0.000 1.872 379 A HA -0.079 4.241 4.320 0.001 0.000 0.214 379 A C 2.109 179.703 177.584 0.016 0.000 1.187 379 A CA 1.866 53.909 52.037 0.009 0.000 0.614 379 A CB -0.825 18.183 19.000 0.014 0.000 0.826 379 A HN 0.169 nan 8.150 nan 0.000 0.442 380 V N 0.101 120.032 119.914 0.028 0.000 2.261 380 V HA -0.254 3.867 4.120 0.001 0.000 0.246 380 V C 2.532 178.639 176.094 0.021 0.000 1.047 380 V CA 2.377 64.701 62.300 0.041 0.000 1.015 380 V CB -0.923 30.942 31.823 0.071 0.000 0.642 380 V HN 0.656 nan 8.190 nan 0.000 0.446 381 E N 0.409 120.620 120.200 0.019 0.000 2.171 381 E HA -0.255 4.095 4.350 0.001 0.000 0.197 381 E C 2.157 178.758 176.600 0.002 0.000 0.997 381 E CA 1.684 58.092 56.400 0.013 0.000 0.810 381 E CB -0.201 29.506 29.700 0.012 0.000 0.738 381 E HN 0.565 nan 8.360 nan 0.000 0.467 382 K N -1.750 118.650 120.400 -0.001 0.000 2.352 382 K HA 0.099 4.419 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 0.588 56.870 56.287 -0.007 0.000 1.023 382 K CB 0.145 32.640 32.500 -0.009 0.000 0.840 382 K HN 0.200 nan 8.250 nan 0.000 0.519 383 G N 1.258 110.052 108.800 -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 1.211 176.078 174.900 -0.054 0.000 1.189 383 G CA 0.460 45.550 45.100 -0.016 0.000 0.789 383 G HN 0.226 nan 8.290 nan 0.000 0.533 384 N N 0.842 119.492 118.700 -0.084 0.000 2.069 384 N HA -0.097 4.643 4.740 0.001 0.000 0.191 384 N C 2.079 177.520 175.510 -0.116 0.000 1.031 384 N CA 0.667 53.606 53.050 -0.185 0.000 0.852 384 N CB -0.601 37.790 38.487 -0.160 0.000 1.018 384 N HN 0.104 nan 8.380 nan 0.000 0.423 385 L N 1.586 122.781 121.223 -0.047 0.000 2.270 385 L HA -0.180 4.160 4.340 0.001 0.000 0.217 385 L C 1.622 178.495 176.870 0.004 0.000 1.107 385 L CA 1.760 56.594 54.840 -0.010 0.000 0.772 385 L CB -0.540 41.517 42.059 -0.004 0.000 0.902 385 L HN 0.128 nan 8.230 nan 0.000 0.439 386 E N -0.715 119.483 120.200 -0.003 0.000 2.307 386 E HA -0.034 4.317 4.350 0.001 0.000 0.195 386 E C 1.813 178.450 176.600 0.062 0.000 0.975 386 E CA 0.609 57.029 56.400 0.034 0.000 0.878 386 E CB 0.170 29.894 29.700 0.040 0.000 0.845 386 E HN 0.595 nan 8.360 nan 0.000 0.488 387 N N -0.020 118.691 118.700 0.017 0.000 2.250 387 N HA -0.071 4.669 4.740 0.001 0.000 0.181 387 N C 1.440 177.042 175.510 0.154 0.000 1.017 387 N CA 0.699 53.788 53.050 0.065 0.000 0.866 387 N CB 0.100 38.573 38.487 -0.024 0.000 0.985 387 N HN -0.003 nan 8.380 nan 0.000 0.429 388 K N 1.650 122.132 120.400 0.136 0.000 1.991 388 K HA -0.180 4.140 4.320 0.001 0.000 0.212 388 K C 2.015 178.700 176.600 0.143 0.000 1.049 388 K CA 1.143 57.546 56.287 0.193 0.000 0.932 388 K CB -0.177 32.412 32.500 0.149 0.000 0.717 388 K HN 0.106 nan 8.250 nan 0.000 0.441 389 K N 1.146 121.611 120.400 0.109 0.000 2.063 389 K HA -0.156 4.164 4.320 0.001 0.000 0.208 389 K C 2.218 178.911 176.600 0.155 0.000 1.048 389 K CA 1.781 58.132 56.287 0.106 0.000 0.928 389 K CB -0.047 32.506 32.500 0.089 0.000 0.713 389 K HN 0.004 nan 8.250 nan 0.000 0.442 390 S N 0.929 116.731 115.700 0.169 0.000 2.380 390 S HA -0.185 4.285 4.470 0.001 0.000 0.229 390 S C 1.870 176.599 174.600 0.215 0.000 1.043 390 S CA 1.699 60.016 58.200 0.194 0.000 1.038 390 S CB -0.234 63.039 63.200 0.122 0.000 0.872 390 S HN 0.310 nan 8.310 nan 0.000 0.456 391 I N 0.477 121.148 120.570 0.168 0.000 2.296 391 I HA -0.105 4.065 4.170 0.001 0.000 0.242 391 I C 2.511 178.692 176.117 0.107 0.000 1.087 391 I CA 0.918 62.300 61.300 0.136 0.000 1.393 391 I CB -0.942 37.132 38.000 0.124 0.000 1.093 391 I HN 0.213 nan 8.210 nan 0.000 0.421 392 T N 0.896 115.507 114.554 0.095 0.000 2.536 392 T HA -0.286 4.064 4.350 0.001 0.000 0.263 392 T C 1.711 176.424 174.700 0.021 0.000 1.115 392 T CA 2.079 64.212 62.100 0.055 0.000 1.180 392 T CB -0.514 68.386 68.868 0.054 0.000 0.864 392 T HN 0.406 nan 8.240 nan 0.000 0.419 393 E N 0.357 120.562 120.200 0.008 0.000 2.058 393 E HA -0.134 4.216 4.350 0.001 0.000 0.194 393 E C 0.919 177.341 176.600 -0.297 0.000 0.997 393 E CA 1.215 57.523 56.400 -0.154 0.000 0.801 393 E CB -0.182 29.395 29.700 -0.205 0.000 0.746 393 E HN 0.676 nan 8.360 nan 0.000 0.450 394 H N 1.054 120.142 119.070 0.031 0.000 2.499 394 H HA 0.105 4.661 4.556 0.001 0.000 0.262 394 H C -0.697 174.643 175.328 0.019 0.000 1.363 394 H CA -0.578 55.484 56.048 0.023 0.000 1.072 394 H CB -0.309 29.466 29.762 0.023 0.000 1.602 394 H HN 0.100 nan 8.280 nan 0.000 0.526 395 E N -0.196 120.047 120.200 0.072 0.000 2.436 395 E HA 0.243 4.593 4.350 0.001 0.000 0.262 395 E C 1.517 178.145 176.600 0.048 0.000 1.063 395 E CA 0.369 56.801 56.400 0.052 0.000 0.944 395 E CB 0.251 29.965 29.700 0.024 0.000 0.950 395 E HN 0.404 nan 8.360 nan 0.000 0.444 396 G N 1.603 110.424 108.800 0.035 0.000 2.363 396 G HA2 -0.407 3.554 3.960 0.001 0.000 0.238 396 G HA3 -0.407 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 0.490 45.606 45.100 0.027 0.000 0.629 396 G HN 0.534 nan 8.290 nan 0.000 0.514 397 E N -0.810 119.420 120.200 0.050 0.000 2.453 397 E HA 0.401 4.751 4.350 0.001 0.000 0.211 397 E C 0.320 176.942 176.600 0.037 0.000 0.897 397 E CA 0.109 56.535 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 0.381 nan 8.360 nan 0.000 0.512 398 I N 0.447 121.053 120.570 0.059 0.000 2.534 398 I HA 0.602 4.772 4.170 0.001 0.000 0.288 398 I C 0.284 176.437 176.117 0.060 0.000 1.077 398 I CA -0.457 60.874 61.300 0.052 0.000 1.051 398 I CB 1.154 39.190 38.000 0.059 0.000 1.234 398 I HN 0.100 nan 8.210 nan 0.000 0.425 399 G N 5.995 114.824 108.800 0.048 0.000 2.570 399 G HA2 0.616 4.577 3.960 0.001 0.000 0.310 399 G HA3 0.616 4.577 3.960 0.001 0.000 0.310 399 G C -1.711 173.208 174.900 0.031 0.000 1.266 399 G CA -0.620 44.502 45.100 0.037 0.000 0.825 399 G HN 0.435 nan 8.290 nan 0.000 0.483 400 K N -0.569 119.818 120.400 -0.022 0.000 2.328 400 K HA 0.844 5.164 4.320 0.001 0.000 0.246 400 K C -0.327 176.241 176.600 -0.053 0.000 0.955 400 K CA -0.775 55.490 56.287 -0.036 0.000 0.817 400 K CB 2.331 34.752 32.500 -0.132 0.000 1.208 400 K HN 1.118 nan 8.250 nan 0.000 0.432 401 I N -3.362 117.188 120.570 -0.033 0.000 3.102 401 I HA 0.609 4.780 4.170 0.001 0.000 0.310 401 I C -2.900 173.188 176.117 -0.048 0.000 1.246 401 I CA -2.868 58.409 61.300 -0.038 0.000 0.979 401 I CB 2.790 40.781 38.000 -0.015 0.000 1.267 401 I HN 0.300 nan 8.210 nan 0.000 0.451 402 P HA 0.154 nan 4.420 nan 0.000 0.271 402 P C -0.665 176.576 177.300 -0.099 0.000 1.216 402 P CA -0.203 62.852 63.100 -0.075 0.000 0.771 402 P CB 0.537 32.202 31.700 -0.059 0.000 0.864 403 L N 4.847 125.973 121.223 -0.161 0.000 2.530 403 L HA 0.057 4.397 4.340 0.001 0.000 0.273 403 L C 0.074 176.827 176.870 -0.195 0.000 1.141 403 L CA 0.886 55.561 54.840 -0.276 0.000 0.905 403 L CB -0.754 41.080 42.059 -0.376 0.000 1.202 403 L HN 0.257 nan 8.230 nan 0.000 0.473 404 K N 5.996 126.310 120.400 -0.144 0.000 2.724 404 K HA 0.284 4.604 4.320 0.001 0.000 0.198 404 K C -0.759 175.815 176.600 -0.044 0.000 1.099 404 K CA -0.852 55.391 56.287 -0.074 0.000 1.025 404 K CB 0.319 32.803 32.500 -0.026 0.000 1.509 404 K HN 0.409 nan 8.250 nan 0.000 0.564 405 L N 2.737 123.911 121.223 -0.083 0.000 2.593 405 L HA -0.157 4.183 4.340 0.001 0.000 0.287 405 L C 1.317 178.186 176.870 -0.001 0.000 1.243 405 L CA 0.968 55.796 54.840 -0.021 0.000 0.890 405 L CB -0.179 41.847 42.059 -0.054 0.000 1.134 405 L HN 0.566 nan 8.230 nan 0.000 0.502 406 D N 1.381 121.816 120.400 0.058 0.000 2.406 406 D HA 0.062 4.703 4.640 0.001 0.000 0.288 406 D C 0.904 177.243 176.300 0.063 0.000 1.186 406 D CA 0.039 54.105 54.000 0.110 0.000 1.098 406 D CB 0.058 40.992 40.800 0.223 0.000 1.160 406 D HN 0.503 nan 8.370 nan 0.000 0.561 407 H N -0.825 118.234 119.070 -0.018 0.000 2.290 407 H HA 0.077 4.633 4.556 0.000 0.000 0.306 407 H C 1.998 177.309 175.328 -0.028 0.000 1.049 407 H CA 1.160 57.191 56.048 -0.029 0.000 1.288 407 H CB -1.009 28.737 29.762 -0.026 0.000 1.406 407 H HN 0.129 nan 8.280 nan 0.000 0.515 408 L N 0.448 121.756 121.223 0.142 0.000 2.081 408 L HA -0.179 4.161 4.340 0.001 0.000 0.212 408 L C 2.492 179.385 176.870 0.038 0.000 1.080 408 L CA 1.594 56.470 54.840 0.059 0.000 0.754 408 L CB -0.816 41.261 42.059 0.031 0.000 0.893 408 L HN 0.105 nan 8.230 nan 0.000 0.433 409 R N 0.355 120.884 120.500 0.047 0.000 2.096 409 R HA -0.175 4.166 4.340 0.001 0.000 0.240 409 R C 2.171 178.480 176.300 0.014 0.000 1.139 409 R CA 1.687 57.809 56.100 0.037 0.000 0.952 409 R CB -0.613 29.724 30.300 0.061 0.000 0.854 409 R HN 0.211 nan 8.270 nan 0.000 0.436 410 I N 1.207 121.776 120.570 -0.002 0.000 2.099 410 I HA -0.264 3.906 4.170 0.001 0.000 0.239 410 I C 1.928 178.032 176.117 -0.021 0.000 1.066 410 I CA 1.824 63.108 61.300 -0.028 0.000 1.324 410 I CB -1.095 36.867 38.000 -0.064 0.000 1.037 410 I HN 0.384 nan 8.210 nan 0.000 0.401 411 E N 0.015 120.206 120.200 -0.015 0.000 2.267 411 E HA -0.265 4.085 4.350 0.001 0.000 0.197 411 E C 1.958 178.556 176.600 -0.004 0.000 0.998 411 E CA 1.060 57.453 56.400 -0.011 0.000 0.830 411 E CB -0.072 29.625 29.700 -0.005 0.000 0.751 411 E HN 0.577 nan 8.360 nan 0.000 0.491 412 E N 1.065 121.265 120.200 0.001 0.000 2.060 412 E HA -0.108 4.242 4.350 0.001 0.000 0.189 412 E C 1.783 178.385 176.600 0.003 0.000 0.974 412 E CA 0.393 56.795 56.400 0.003 0.000 0.808 412 E CB 0.058 29.763 29.700 0.008 0.000 0.768 412 E HN 0.200 nan 8.360 nan 0.000 0.453 413 L N 0.852 122.075 121.223 0.000 0.000 2.675 413 L HA 0.024 4.364 4.340 0.001 0.000 0.238 413 L C 2.328 179.196 176.870 -0.003 0.000 1.155 413 L CA 0.163 55.002 54.840 -0.003 0.000 0.881 413 L CB -0.444 41.606 42.059 -0.015 0.000 1.008 413 L HN 0.074 nan 8.230 nan 0.000 0.443 414 K N 1.425 121.824 120.400 -0.002 0.000 2.107 414 K HA -0.082 4.239 4.320 0.001 0.000 0.211 414 K C 1.811 178.414 176.600 0.005 0.000 1.024 414 K CA 1.117 57.404 56.287 -0.000 0.000 0.953 414 K CB -0.104 32.393 32.500 -0.005 0.000 0.831 414 K HN 0.213 nan 8.250 nan 0.000 0.454 415 E N 0.726 120.929 120.200 0.004 0.000 2.515 415 E HA -0.164 4.186 4.350 0.001 0.000 0.201 415 E C 0.721 177.327 176.600 0.009 0.000 1.071 415 E CA 0.799 57.203 56.400 0.007 0.000 0.880 415 E CB -0.276 29.427 29.700 0.005 0.000 0.828 415 E HN 0.158 nan 8.360 nan 0.000 0.540 416 N N 0.677 119.383 118.700 0.010 0.000 2.203 416 N HA 0.042 4.782 4.740 0.001 0.000 0.207 416 N C 0.331 175.852 175.510 0.018 0.000 1.130 416 N CA 0.708 53.766 53.050 0.014 0.000 0.861 416 N CB 0.409 38.904 38.487 0.013 0.000 1.005 416 N HN 0.296 nan 8.380 nan 0.000 0.507 417 G N 2.135 110.945 108.800 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 0.718 175.636 174.900 0.029 0.000 0.979 417 G CA 0.177 45.291 45.100 0.022 0.000 1.193 417 G HN 0.334 nan 8.290 nan 0.000 0.508 418 I N -0.399 120.183 120.570 0.021 0.000 3.718 418 I HA 0.302 4.472 4.170 0.001 0.000 0.297 418 I C 1.536 177.654 176.117 0.001 0.000 1.220 418 I CA 0.954 62.268 61.300 0.023 0.000 1.381 418 I CB -0.175 37.829 38.000 0.006 0.000 1.238 418 I HN 0.563 nan 8.210 nan 0.000 0.448 419 I N -1.211 119.353 120.570 -0.010 0.000 2.865 419 I HA 0.508 4.678 4.170 0.001 0.000 0.302 419 I C -1.232 174.889 176.117 0.008 0.000 1.140 419 I CA -0.851 60.438 61.300 -0.018 0.000 1.021 419 I CB 3.285 41.256 38.000 -0.049 0.000 1.233 419 I HN -0.240 nan 8.210 nan 0.000 0.427 420 L N 4.110 125.349 121.223 0.026 0.000 2.372 420 L HA 0.499 4.839 4.340 0.001 0.000 0.273 420 L C -0.892 176.007 176.870 0.048 0.000 0.989 420 L CA -0.427 54.435 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 0.862 nan 8.230 nan 0.000 0.414 421 K N 3.684 124.104 120.400 0.033 0.000 2.285 421 K HA 0.581 4.902 4.320 0.001 0.000 0.286 421 K C 0.009 176.647 176.600 0.063 0.000 1.072 421 K CA 0.109 56.421 56.287 0.042 0.000 0.913 421 K CB 1.166 33.661 32.500 -0.007 0.000 1.067 421 K HN 0.892 nan 8.250 nan 0.000 0.479 422 G N 3.223 112.083 108.800 0.099 0.000 3.354 422 G HA2 0.115 4.075 3.960 0.001 0.000 0.174 422 G HA3 0.115 4.075 3.960 0.001 0.000 0.174 422 G C -1.037 173.938 174.900 0.125 0.000 1.140 422 G CA -0.653 44.507 45.100 0.101 0.000 0.897 422 G HN 0.606 nan 8.290 nan 0.000 0.685 423 K N 0.990 121.450 120.400 0.100 0.000 2.611 423 K HA 0.017 4.337 4.320 0.001 0.000 0.280 423 K C 0.064 176.718 176.600 0.090 0.000 0.964 423 K CA 0.874 57.212 56.287 0.085 0.000 1.029 423 K CB 0.254 32.796 32.500 0.070 0.000 0.862 423 K HN 0.343 nan 8.250 nan 0.000 0.501 424 K N 1.879 122.304 120.400 0.041 0.000 2.502 424 K HA 0.376 4.696 4.320 0.001 0.000 0.252 424 K C -0.701 175.870 176.600 -0.049 0.000 1.043 424 K CA -0.879 55.387 56.287 -0.034 0.000 0.999 424 K CB 1.093 33.509 32.500 -0.140 0.000 1.343 424 K HN 0.533 nan 8.250 nan 0.000 0.513 425 E N -0.113 120.023 120.200 -0.107 0.000 2.417 425 E HA 0.386 4.737 4.350 0.001 0.000 0.280 425 E C -1.885 174.610 176.600 -0.174 0.000 1.112 425 E CA -0.556 55.782 56.400 -0.103 0.000 0.863 425 E CB 1.076 30.739 29.700 -0.062 0.000 1.346 425 E HN 0.312 nan 8.360 nan 0.000 0.443 426 I N 1.571 122.032 120.570 -0.183 0.000 2.569 426 I HA 0.586 4.756 4.170 0.001 0.000 0.296 426 I C -0.979 174.967 176.117 -0.285 0.000 1.028 426 I CA -0.574 60.579 61.300 -0.245 0.000 1.082 426 I CB 1.720 39.615 38.000 -0.176 0.000 1.264 426 I HN 0.439 nan 8.210 nan 0.000 0.429 427 D N 4.343 124.503 120.400 -0.400 0.000 2.937 427 D HA 0.265 4.905 4.640 0.001 0.000 0.215 427 D C -0.140 175.953 176.300 -0.344 0.000 1.274 427 D CA -0.094 53.684 54.000 -0.370 0.000 0.869 427 D CB 1.370 41.900 40.800 -0.449 0.000 1.675 427 D HN 0.493 nan 8.370 nan 0.000 0.538 428 N N 1.794 120.368 118.700 -0.209 0.000 2.661 428 N HA -0.236 4.505 4.740 0.001 0.000 0.249 428 N C 0.946 176.362 175.510 -0.157 0.000 1.142 428 N CA 1.667 54.625 53.050 -0.154 0.000 0.727 428 N CB -0.867 37.542 38.487 -0.131 0.000 1.099 428 N HN 0.902 nan 8.380 nan 0.000 0.558 429 G N -1.274 107.418 108.800 -0.179 0.000 2.157 429 G HA2 -0.316 3.645 3.960 0.001 0.000 0.239 429 G HA3 -0.316 3.645 3.960 0.001 0.000 0.239 429 G C -0.090 174.699 174.900 -0.184 0.000 0.982 429 G CA 0.718 45.726 45.100 -0.153 0.000 0.650 429 G HN 0.509 nan 8.290 nan 0.000 0.527 430 K N 0.176 120.406 120.400 -0.284 0.000 2.259 430 K HA 0.548 4.868 4.320 0.001 0.000 0.249 430 K C -0.044 176.286 176.600 -0.449 0.000 0.942 430 K CA -0.854 55.244 56.287 -0.315 0.000 0.816 430 K CB 1.846 34.161 32.500 -0.308 0.000 1.155 430 K HN 0.069 nan 8.250 nan 0.000 0.428 431 K N 1.811 122.040 120.400 -0.286 0.000 2.174 431 K HA 0.267 4.588 4.320 0.001 0.000 0.275 431 K C -0.929 175.624 176.600 -0.079 0.000 1.015 431 K CA -0.201 55.924 56.287 -0.271 0.000 0.933 431 K CB 0.701 33.047 32.500 -0.258 0.000 1.025 431 K HN 0.517 nan 8.250 nan 0.000 0.463 432 Y N 2.199 122.328 120.300 -0.285 0.000 2.331 432 Y HA 0.180 4.730 4.550 0.001 0.000 0.326 432 Y C -0.962 174.817 175.900 -0.200 0.000 1.020 432 Y CA -1.281 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 3.695 124.048 120.300 0.088 0.000 2.504 433 Y HA 0.082 4.632 4.550 0.000 0.000 0.351 433 Y C 0.306 176.234 175.900 0.046 0.000 0.988 433 Y CA -0.697 57.433 58.100 0.049 0.000 1.239 433 Y CB 0.303 38.779 38.460 0.027 0.000 1.128 433 Y HN 0.401 nan 8.280 nan 0.000 0.525 434 L N 5.461 126.792 121.223 0.182 0.000 2.601 434 L HA -0.047 4.294 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 0.827 55.770 54.840 0.173 0.000 0.915 434 L CB -0.086 42.070 42.059 0.162 0.000 1.160 434 L HN 0.673 nan 8.230 nan 0.000 0.494 435 L N 5.158 126.504 121.223 0.204 0.000 2.297 435 L HA 0.241 4.582 4.340 0.001 0.000 0.277 435 L C 0.240 177.231 176.870 0.202 0.000 1.040 435 L CA -0.600 54.339 54.840 0.166 0.000 0.867 435 L CB 1.442 43.580 42.059 0.131 0.000 1.244 435 L HN 0.612 nan 8.230 nan 0.000 0.433 436 E N 2.489 122.784 120.200 0.158 0.000 2.373 436 E HA 0.365 4.715 4.350 0.001 0.000 0.263 436 E C -0.635 176.035 176.600 0.117 0.000 1.073 436 E CA 0.054 56.553 56.400 0.166 0.000 0.894 436 E CB 1.272 31.052 29.700 0.133 0.000 1.008 436 E HN 0.370 nan 8.360 nan 0.000 0.420 437 S N 3.019 118.811 115.700 0.153 0.000 2.605 437 S HA 0.178 4.648 4.470 0.001 0.000 0.279 437 S C -0.160 174.543 174.600 0.171 0.000 1.166 437 S CA -0.623 57.648 58.200 0.119 0.000 0.975 437 S CB 0.331 63.542 63.200 0.020 0.000 1.111 437 S HN 0.721 nan 8.310 nan 0.000 0.465 438 N N 3.545 122.321 118.700 0.127 0.000 2.735 438 N HA -0.114 4.626 4.740 0.001 0.000 0.200 438 N C 0.669 176.240 175.510 0.100 0.000 1.383 438 N CA 0.048 53.159 53.050 0.102 0.000 0.939 438 N CB -0.148 38.377 38.487 0.064 0.000 1.074 438 N HN 0.637 nan 8.380 nan 0.000 0.449 439 N N 1.269 120.074 118.700 0.174 0.000 2.340 439 N HA -0.132 4.608 4.740 0.001 0.000 0.236 439 N C 0.205 175.791 175.510 0.126 0.000 1.296 439 N CA 0.503 53.637 53.050 0.140 0.000 0.896 439 N CB 0.740 39.473 38.487 0.410 0.000 1.127 439 N HN 0.361 nan 8.380 nan 0.000 0.442 440 Q N 0.372 120.215 119.800 0.070 0.000 2.141 440 Q HA 0.337 4.677 4.340 0.001 0.000 0.248 440 Q C -0.477 175.553 176.000 0.050 0.000 0.834 440 Q CA -0.394 55.444 55.803 0.059 0.000 1.096 440 Q CB 0.393 29.142 28.738 0.019 0.000 1.189 440 Q HN 0.328 nan 8.270 nan 0.000 0.471 441 V N -1.247 118.710 119.914 0.071 0.000 3.213 441 V HA 0.228 4.348 4.120 0.001 0.000 0.260 441 V C -0.374 175.893 176.094 0.289 0.000 1.663 441 V CA -0.036 62.302 62.300 0.063 0.000 1.026 441 V CB 0.435 32.213 31.823 -0.075 0.000 0.874 441 V HN 0.362 nan 8.190 nan 0.000 0.410 442 Y N 0.838 121.211 120.300 0.121 0.000 2.409 442 Y HA 0.661 5.211 4.550 0.000 0.000 0.343 442 Y C 0.061 175.932 175.900 -0.048 0.000 0.973 442 Y CA -0.886 57.182 58.100 -0.054 0.000 1.064 442 Y CB 2.108 40.611 38.460 0.073 0.000 1.207 442 Y HN 0.136 nan 8.280 nan 0.000 0.452 443 E N 2.573 122.640 120.200 -0.222 0.000 2.221 443 E HA 0.528 4.879 4.350 0.001 0.000 0.268 443 E C -1.671 174.765 176.600 -0.275 0.000 0.933 443 E CA -0.789 55.604 56.400 -0.011 0.000 0.809 443 E CB 2.112 31.803 29.700 -0.015 0.000 1.190 443 E HN 0.328 nan 8.360 nan 0.000 0.406 444 F N 0.772 120.868 119.950 0.243 0.000 2.576 444 F HA 0.526 5.053 4.527 0.000 0.000 0.313 444 F C -0.143 175.884 175.800 0.377 0.000 1.078 444 F CA -1.026 57.159 58.000 0.308 0.000 0.921 444 F CB 1.717 40.814 39.000 0.162 0.000 1.232 444 F HN 0.342 nan 8.300 nan 0.000 0.459 445 R N 2.277 123.091 120.500 0.525 0.000 2.604 445 R HA 0.777 5.117 4.340 0.001 0.000 0.270 445 R C -2.251 174.034 176.300 -0.024 0.000 1.052 445 R CA -0.751 55.454 56.100 0.175 0.000 0.902 445 R CB 2.452 32.689 30.300 -0.104 0.000 1.233 445 R HN 0.844 nan 8.270 nan 0.000 0.455 446 I N 2.113 122.652 120.570 -0.052 0.000 2.441 446 I HA 0.305 4.475 4.170 0.001 0.000 0.295 446 I C 0.096 176.146 176.117 -0.111 0.000 0.994 446 I CA -0.540 60.704 61.300 -0.093 0.000 1.144 446 I CB 2.251 40.242 38.000 -0.015 0.000 1.314 446 I HN 0.949 nan 8.210 nan 0.000 0.445 447 S N 4.392 119.996 115.700 -0.161 0.000 2.598 447 S HA -0.000 4.470 4.470 0.001 0.000 0.256 447 S C 0.553 175.269 174.600 0.194 0.000 1.350 447 S CA 0.277 58.508 58.200 0.051 0.000 0.984 447 S CB 0.907 64.154 63.200 0.077 0.000 0.930 447 S HN 0.864 nan 8.310 nan 0.000 0.577 448 D N -0.412 120.126 120.400 0.229 0.000 2.716 448 D HA 0.056 4.697 4.640 0.001 0.000 0.273 448 D C 1.739 178.107 176.300 0.113 0.000 1.024 448 D CA 0.480 54.608 54.000 0.213 0.000 0.944 448 D CB -0.309 40.585 40.800 0.157 0.000 1.186 448 D HN 0.758 nan 8.370 nan 0.000 0.485 449 E N 0.409 120.661 120.200 0.087 0.000 2.035 449 E HA -0.163 4.187 4.350 0.001 0.000 0.204 449 E C 0.231 176.855 176.600 0.040 0.000 1.025 449 E CA 1.119 57.550 56.400 0.051 0.000 0.835 449 E CB 0.035 29.761 29.700 0.044 0.000 0.764 449 E HN 0.303 nan 8.360 nan 0.000 0.457 450 N N -0.317 118.407 118.700 0.040 0.000 2.328 450 N HA 0.098 4.839 4.740 0.001 0.000 0.299 450 N C -0.855 174.660 175.510 0.008 0.000 1.179 450 N CA -0.520 52.540 53.050 0.018 0.000 0.793 450 N CB 0.809 39.305 38.487 0.015 0.000 1.366 450 N HN -0.063 nan 8.380 nan 0.000 0.493 451 N N -0.134 118.554 118.700 -0.020 0.000 2.413 451 N HA 0.009 4.749 4.740 0.001 0.000 0.207 451 N C -0.428 175.052 175.510 -0.050 0.000 1.206 451 N CA -0.042 52.984 53.050 -0.041 0.000 0.832 451 N CB 0.027 38.467 38.487 -0.078 0.000 1.037 451 N HN 0.549 nan 8.380 nan 0.000 0.467 452 E N -0.027 120.147 120.200 -0.044 0.000 2.485 452 E HA -0.004 4.347 4.350 0.001 0.000 0.266 452 E C -0.377 176.169 176.600 -0.089 0.000 1.137 452 E CA 0.486 56.847 56.400 -0.065 0.000 1.010 452 E CB 0.744 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 1.520 121.384 119.914 -0.085 0.000 2.789 453 V HA 0.278 4.398 4.120 0.001 0.000 0.311 453 V C -0.380 175.717 176.094 0.005 0.000 1.073 453 V CA -0.744 61.524 62.300 -0.052 0.000 0.921 453 V CB 1.904 33.693 31.823 -0.057 0.000 1.009 453 V HN 0.618 nan 8.190 nan 0.000 0.426 454 Q N 2.598 122.464 119.800 0.110 0.000 2.528 454 Q HA 0.768 5.109 4.340 0.001 0.000 0.289 454 Q C -1.652 174.582 176.000 0.389 0.000 1.091 454 Q CA -0.856 55.102 55.803 0.259 0.000 0.797 454 Q CB 3.319 32.244 28.738 0.311 0.000 1.466 454 Q HN 0.868 nan 8.270 nan 0.000 0.436 455 Y N -1.837 118.400 120.300 -0.104 0.000 2.689 455 Y HA 0.741 5.291 4.550 0.000 0.000 0.333 455 Y C -1.790 173.710 175.900 -0.667 0.000 1.208 455 Y CA -1.286 56.438 58.100 -0.627 0.000 1.055 455 Y CB 1.667 39.548 38.460 -0.965 0.000 1.304 455 Y HN 0.696 nan 8.280 nan 0.000 0.455 456 K N -0.663 119.092 120.400 -1.076 0.000 2.578 456 K HA 0.521 4.841 4.320 0.001 0.000 0.287 456 K C -1.620 174.539 176.600 -0.735 0.000 1.010 456 K CA -0.795 54.997 56.287 -0.825 0.000 0.889 456 K CB 1.881 33.751 32.500 -1.050 0.000 1.514 456 K HN 0.771 nan 8.250 nan 0.000 0.424 457 T N -0.361 113.796 114.554 -0.661 0.000 2.749 457 T HA 0.269 4.619 4.350 0.001 0.000 0.295 457 T C -0.112 174.425 174.700 -0.272 0.000 0.936 457 T CA -0.828 60.994 62.100 -0.464 0.000 1.060 457 T CB 0.462 68.993 68.868 -0.563 0.000 0.904 457 T HN 0.494 nan 8.240 nan 0.000 0.500 458 K N 2.803 123.119 120.400 -0.141 0.000 2.591 458 K HA -0.070 4.250 4.320 0.001 0.000 0.280 458 K C 1.204 177.757 176.600 -0.079 0.000 0.964 458 K CA 0.262 56.498 56.287 -0.085 0.000 1.014 458 K CB 0.406 32.899 32.500 -0.012 0.000 0.877 458 K HN 0.720 nan 8.250 nan 0.000 0.502 459 E N 0.571 120.741 120.200 -0.050 0.000 2.463 459 E HA -0.121 4.229 4.350 0.001 0.000 0.201 459 E C 0.996 177.580 176.600 -0.026 0.000 1.045 459 E CA 0.679 57.058 56.400 -0.035 0.000 0.872 459 E CB 0.073 29.769 29.700 -0.007 0.000 0.797 459 E HN 0.744 nan 8.360 nan 0.000 0.538 460 G N 0.323 109.110 108.800 -0.022 0.000 4.250 460 G HA2 0.198 4.158 3.960 0.001 0.000 0.295 460 G HA3 0.198 4.158 3.960 0.001 0.000 0.295 460 G C -0.039 174.849 174.900 -0.020 0.000 1.081 460 G CA -0.289 44.802 45.100 -0.016 0.000 0.854 460 G HN -0.124 nan 8.290 nan 0.000 0.524 461 K N -0.293 120.087 120.400 -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 -0.695 55.572 56.287 -0.033 0.000 0.836 461 K CB 1.640 34.132 32.500 -0.015 0.000 1.507 461 K HN 0.003 nan 8.250 nan 0.000 0.394 462 I N -0.675 119.869 120.570 -0.045 0.000 3.066 462 I HA 0.378 4.549 4.170 0.001 0.000 0.307 462 I C -1.175 174.932 176.117 -0.017 0.000 1.366 462 I CA -0.575 60.688 61.300 -0.062 0.000 0.972 462 I CB 2.410 40.377 38.000 -0.055 0.000 1.307 462 I HN 0.537 nan 8.210 nan 0.000 0.470 463 T N 3.427 117.967 114.554 -0.024 0.000 2.869 463 T HA 0.174 4.524 4.350 0.001 0.000 0.295 463 T C 1.347 176.063 174.700 0.028 0.000 0.987 463 T CA -0.156 61.985 62.100 0.067 0.000 1.109 463 T CB 1.428 70.322 68.868 0.044 0.000 0.932 463 T HN 0.506 nan 8.240 nan 0.000 0.518 464 V N 2.694 122.626 119.914 0.030 0.000 2.453 464 V HA -0.131 3.990 4.120 0.001 0.000 0.252 464 V C 2.020 178.119 176.094 0.009 0.000 1.068 464 V CA 1.573 63.870 62.300 -0.006 0.000 1.070 464 V CB -0.990 30.814 31.823 -0.032 0.000 0.664 464 V HN 0.680 nan 8.190 nan 0.000 0.461 465 L N 1.667 122.912 121.223 0.037 0.000 2.362 465 L HA 0.332 4.672 4.340 0.001 0.000 0.219 465 L C 1.975 178.857 176.870 0.021 0.000 1.134 465 L CA 1.695 56.556 54.840 0.035 0.000 0.807 465 L CB -0.988 41.107 42.059 0.060 0.000 0.927 465 L HN 0.771 nan 8.230 nan 0.000 0.447 466 G N -1.023 107.783 108.800 0.009 0.000 2.135 466 G HA2 -0.184 3.776 3.960 0.001 0.000 0.183 466 G HA3 -0.184 3.776 3.960 0.001 0.000 0.183 466 G C 0.095 174.985 174.900 -0.016 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 -0.123 120.061 120.200 -0.027 0.000 2.222 467 E HA 0.658 5.008 4.350 0.001 0.000 0.272 467 E C -0.118 176.360 176.600 -0.204 0.000 0.982 467 E CA -0.723 55.641 56.400 -0.059 0.000 0.842 467 E CB 1.697 31.402 29.700 0.008 0.000 1.144 467 E HN 0.192 nan 8.360 nan 0.000 0.397 468 K N 2.951 123.213 120.400 -0.229 0.000 2.615 468 K HA 0.324 4.644 4.320 0.001 0.000 0.249 468 K C -1.819 174.634 176.600 -0.245 0.000 0.977 468 K CA -0.471 55.613 56.287 -0.339 0.000 0.833 468 K CB 0.646 33.041 32.500 -0.174 0.000 1.208 468 K HN 0.415 nan 8.250 nan 0.000 0.443 469 F N 0.092 119.920 119.950 -0.203 0.000 2.685 469 F HA 0.570 5.098 4.527 0.000 0.000 0.315 469 F C -0.924 174.694 175.800 -0.303 0.000 1.126 469 F CA -1.339 56.527 58.000 -0.223 0.000 0.950 469 F CB 0.572 39.434 39.000 -0.230 0.000 1.360 469 F HN 0.234 nan 8.300 nan 0.000 0.469 470 N N -0.747 118.031 118.700 0.129 0.000 2.482 470 N HA 0.160 4.901 4.740 0.001 0.000 0.279 470 N C -1.226 174.240 175.510 -0.072 0.000 1.182 470 N CA -0.388 52.651 53.050 -0.019 0.000 0.969 470 N CB 0.700 39.228 38.487 0.069 0.000 1.201 470 N HN 0.748 nan 8.380 nan 0.000 0.523 471 W N 1.403 122.680 121.300 -0.039 0.000 2.525 471 W HA -0.166 4.494 4.660 0.000 0.000 0.347 471 W C 0.883 177.329 176.519 -0.122 0.000 0.931 471 W CA 0.593 57.895 57.345 -0.072 0.000 0.997 471 W CB -0.375 29.084 29.460 -0.002 0.000 1.054 471 W HN 0.142 nan 8.180 nan 0.000 0.570 472 R N 2.372 122.868 120.500 -0.007 0.000 2.837 472 R HA 0.342 4.682 4.340 0.001 0.000 0.271 472 R C -0.453 175.902 176.300 0.091 0.000 0.993 472 R CA -1.533 54.527 56.100 -0.065 0.000 0.931 472 R CB 1.384 31.463 30.300 -0.369 0.000 1.206 472 R HN 0.235 nan 8.270 nan 0.000 0.474 473 N N 0.661 119.383 118.700 0.036 0.000 2.503 473 N HA 0.225 4.965 4.740 0.001 0.000 0.267 473 N C -0.461 175.041 175.510 -0.012 0.000 1.214 473 N CA -0.205 52.858 53.050 0.022 0.000 0.959 473 N CB 0.693 39.165 38.487 -0.024 0.000 1.142 473 N HN 0.368 nan 8.380 nan 0.000 0.455 474 I N 1.464 121.980 120.570 -0.090 0.000 2.322 474 I HA 0.038 4.209 4.170 0.001 0.000 0.292 474 I C 0.193 176.218 176.117 -0.154 0.000 1.060 474 I CA -0.093 61.072 61.300 -0.223 0.000 1.309 474 I CB 0.151 37.983 38.000 -0.281 0.000 1.415 474 I HN 0.387 nan 8.210 nan 0.000 0.492 475 E N 5.638 125.780 120.200 -0.097 0.000 2.266 475 E HA 0.467 4.817 4.350 0.001 0.000 0.277 475 E C -0.725 175.879 176.600 0.006 0.000 1.018 475 E CA -0.591 55.777 56.400 -0.053 0.000 0.840 475 E CB 2.104 31.764 29.700 -0.067 0.000 1.082 475 E HN 0.424 nan 8.360 nan 0.000 0.395 476 V N -0.809 119.113 119.914 0.014 0.000 3.001 476 V HA 0.512 4.632 4.120 0.001 0.000 0.314 476 V C -0.236 175.929 176.094 0.117 0.000 1.099 476 V CA -1.310 61.038 62.300 0.080 0.000 0.989 476 V CB 1.788 33.663 31.823 0.087 0.000 1.040 476 V HN 0.546 nan 8.190 nan 0.000 0.434 477 M N 2.429 122.113 119.600 0.141 0.000 2.238 477 M HA 0.707 5.188 4.480 0.001 0.000 0.347 477 M C 0.076 176.426 176.300 0.083 0.000 1.173 477 M CA 0.297 55.668 55.300 0.118 0.000 1.147 477 M CB 0.704 33.366 32.600 0.103 0.000 1.547 477 M HN 1.189 nan 8.290 nan 0.000 0.455 478 A N 3.313 126.167 122.820 0.057 0.000 2.488 478 A HA 0.651 4.971 4.320 0.001 0.000 0.298 478 A C -0.766 176.829 177.584 0.018 0.000 1.044 478 A CA -1.019 51.040 52.037 0.036 0.000 0.693 478 A CB 1.500 20.521 19.000 0.035 0.000 1.272 478 A HN 0.808 nan 8.150 nan 0.000 0.402 479 K N 1.502 121.904 120.400 0.003 0.000 2.098 479 K HA 0.452 4.773 4.320 0.001 0.000 0.258 479 K C 0.039 176.638 176.600 -0.002 0.000 0.973 479 K CA -0.702 55.582 56.287 -0.005 0.000 0.898 479 K CB 1.238 33.725 32.500 -0.023 0.000 1.057 479 K HN 0.701 nan 8.250 nan 0.000 0.447 480 N N 1.075 119.775 118.700 0.001 0.000 2.492 480 N HA 0.092 4.832 4.740 0.001 0.000 0.260 480 N C -1.176 174.331 175.510 -0.004 0.000 1.215 480 N CA -0.500 52.551 53.050 0.001 0.000 0.923 480 N CB 0.563 39.055 38.487 0.008 0.000 1.092 480 N HN 0.354 nan 8.380 nan 0.000 0.448 481 V N 2.597 122.507 119.914 -0.007 0.000 2.675 481 V HA 0.175 4.295 4.120 0.001 0.000 0.266 481 V C -0.828 175.259 176.094 -0.011 0.000 0.974 481 V CA -0.698 61.596 62.300 -0.010 0.000 0.890 481 V CB 1.031 32.842 31.823 -0.019 0.000 1.055 481 V HN 0.825 nan 8.190 nan 0.000 0.477 482 E N 2.079 122.276 120.200 -0.005 0.000 2.442 482 E HA -0.197 4.154 4.350 0.001 0.000 0.256 482 E C 1.055 177.652 176.600 -0.005 0.000 1.095 482 E CA 1.141 57.539 56.400 -0.004 0.000 0.747 482 E CB -1.385 28.310 29.700 -0.009 0.000 1.310 482 E HN 1.960 nan 8.360 nan 0.000 0.396 483 G N -0.805 107.994 108.800 -0.002 0.000 2.350 483 G HA2 -0.180 3.780 3.960 0.001 0.000 0.298 483 G HA3 -0.180 3.780 3.960 0.001 0.000 0.298 483 G C 0.100 174.997 174.900 -0.005 0.000 1.037 483 G CA 0.342 45.440 45.100 -0.002 0.000 1.074 483 G HN 0.809 nan 8.290 nan 0.000 0.511 484 V N -0.580 119.330 119.914 -0.007 0.000 2.719 484 V HA 0.318 4.439 4.120 0.001 0.000 0.289 484 V C 0.094 176.183 176.094 -0.008 0.000 1.167 484 V CA -1.211 61.083 62.300 -0.010 0.000 0.929 484 V CB 1.548 33.362 31.823 -0.015 0.000 1.050 484 V HN 0.254 nan 8.190 nan 0.000 0.448 485 L N 4.577 125.797 121.223 -0.005 0.000 2.574 485 L HA 0.214 4.554 4.340 0.001 0.000 0.281 485 L C 0.789 177.660 176.870 0.002 0.000 1.212 485 L CA 0.909 55.748 54.840 -0.001 0.000 1.082 485 L CB -0.653 41.405 42.059 -0.001 0.000 1.362 485 L HN 0.543 nan 8.230 nan 0.000 0.451 486 K N 5.415 125.815 120.400 -0.001 0.000 2.249 486 K HA 0.317 4.638 4.320 0.001 0.000 0.280 486 K C -2.111 174.502 176.600 0.022 0.000 1.033 486 K CA -1.626 54.662 56.287 0.001 0.000 0.946 486 K CB 0.658 33.144 32.500 -0.024 0.000 1.005 486 K HN 0.235 nan 8.250 nan 0.000 0.469 487 P HA 0.011 nan 4.420 nan 0.000 0.270 487 P C -0.763 176.567 177.300 0.050 0.000 1.223 487 P CA 0.104 63.272 63.100 0.113 0.000 0.785 487 P CB 0.739 32.599 31.700 0.266 0.000 0.923 488 L N 0.778 122.034 121.223 0.055 0.000 2.334 488 L HA 0.617 4.957 4.340 0.001 0.000 0.273 488 L C 0.925 177.733 176.870 -0.103 0.000 1.013 488 L CA -0.353 54.473 54.840 -0.024 0.000 0.816 488 L CB 1.999 44.054 42.059 -0.006 0.000 1.278 488 L HN 0.445 nan 8.230 nan 0.000 0.431 489 T N 0.535 115.007 114.554 -0.137 0.000 2.778 489 T HA 0.666 5.017 4.350 0.001 0.000 0.293 489 T C -0.584 174.057 174.700 -0.098 0.000 1.144 489 T CA -0.120 61.881 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 1.960 124.738 122.820 -0.070 0.000 2.583 490 A HA 0.430 4.750 4.320 0.001 0.000 0.231 490 A C 0.277 177.824 177.584 -0.062 0.000 1.065 490 A CA 0.421 52.441 52.037 -0.028 0.000 0.760 490 A CB -0.360 18.648 19.000 0.013 0.000 1.001 490 A HN 0.844 nan 8.150 nan 0.000 0.509 491 D N -1.056 119.328 120.400 -0.027 0.000 2.621 491 D HA 0.380 5.020 4.640 0.001 0.000 0.255 491 D C -1.238 175.129 176.300 0.112 0.000 1.122 491 D CA -0.522 53.421 54.000 -0.095 0.000 1.096 491 D CB 0.214 40.945 40.800 -0.116 0.000 1.282 491 D HN 0.311 nan 8.370 nan 0.000 0.619 492 Y N 0.443 120.749 120.300 0.010 0.000 2.676 492 Y HA 0.234 4.784 4.550 0.000 0.000 0.338 492 Y C -0.280 175.741 175.900 0.202 0.000 1.057 492 Y CA -1.032 57.160 58.100 0.152 0.000 1.314 492 Y CB -0.206 38.389 38.460 0.224 0.000 1.164 492 Y HN 0.069 nan 8.280 nan 0.000 0.509 493 D N 4.050 124.683 120.400 0.388 0.000 2.374 493 D HA 0.129 4.769 4.640 0.001 0.000 0.240 493 D C 0.283 176.735 176.300 0.252 0.000 1.229 493 D CA 0.069 54.283 54.000 0.357 0.000 0.895 493 D CB 0.690 41.676 40.800 0.310 0.000 1.046 493 D HN 0.418 nan 8.370 nan 0.000 0.498 494 L N 2.291 123.572 121.223 0.097 0.000 2.540 494 L HA -0.042 4.298 4.340 0.001 0.000 0.276 494 L C 1.448 178.312 176.870 -0.010 0.000 1.212 494 L CA -0.196 54.540 54.840 -0.172 0.000 0.893 494 L CB 0.392 42.297 42.059 -0.257 0.000 1.138 494 L HN 0.384 nan 8.230 nan 0.000 0.491 495 F N 3.387 123.268 119.950 -0.116 0.000 2.270 495 F HA 0.350 4.878 4.527 0.001 0.000 0.295 495 F C 0.834 176.602 175.800 -0.053 0.000 1.087 495 F CA 0.597 58.591 58.000 -0.010 0.000 1.365 495 F CB 0.361 39.400 39.000 0.065 0.000 1.056 495 F HN 0.484 nan 8.300 nan 0.000 0.506 496 A N -0.039 122.854 122.820 0.122 0.000 2.567 496 A HA 0.575 4.895 4.320 0.001 0.000 0.291 496 A C -1.998 175.609 177.584 0.038 0.000 1.048 496 A CA -0.677 51.364 52.037 0.006 0.000 0.661 496 A CB 0.504 19.635 19.000 0.217 0.000 1.288 496 A HN 0.110 nan 8.150 nan 0.000 0.424 497 L N 0.889 122.141 121.223 0.048 0.000 2.404 497 L HA 0.693 5.034 4.340 0.001 0.000 0.272 497 L C 0.077 177.155 176.870 0.348 0.000 0.980 497 L CA -0.593 54.373 54.840 0.211 0.000 0.836 497 L CB 2.015 44.227 42.059 0.255 0.000 1.238 497 L HN 0.996 nan 8.230 nan 0.000 0.408 498 A N 5.791 128.797 122.820 0.309 0.000 2.508 498 A HA 0.663 4.984 4.320 0.001 0.000 0.336 498 A C -2.535 175.217 177.584 0.280 0.000 1.360 498 A CA -1.397 50.805 52.037 0.275 0.000 0.841 498 A CB 0.147 19.283 19.000 0.227 0.000 1.136 498 A HN 0.299 nan 8.150 nan 0.000 0.489 499 P HA 0.206 nan 4.420 nan 0.000 0.276 499 P C 0.185 177.538 177.300 0.088 0.000 1.244 499 P CA -0.015 63.075 63.100 -0.016 0.000 0.801 499 P CB 1.237 32.635 31.700 -0.504 0.000 1.006 500 S N 1.157 116.853 115.700 -0.006 0.000 2.580 500 S HA 0.166 4.636 4.470 0.001 0.000 0.274 500 S C 1.591 176.034 174.600 -0.261 0.000 1.329 500 S CA -0.702 57.284 58.200 -0.357 0.000 1.036 500 S CB 0.158 63.052 63.200 -0.510 0.000 0.919 500 S HN 0.391 nan 8.310 nan 0.000 0.515 501 L N 1.648 122.716 121.223 -0.258 0.000 2.081 501 L HA -0.162 4.178 4.340 0.001 0.000 0.212 501 L C 2.968 179.732 176.870 -0.176 0.000 1.080 501 L CA 1.862 56.600 54.840 -0.169 0.000 0.754 501 L CB -1.069 40.918 42.059 -0.120 0.000 0.893 501 L HN 1.053 nan 8.230 nan 0.000 0.433 502 T N -3.862 110.572 114.554 -0.200 0.000 2.833 502 T HA -0.227 4.123 4.350 0.001 0.000 0.269 502 T C 1.603 176.201 174.700 -0.170 0.000 1.054 502 T CA 1.280 63.273 62.100 -0.178 0.000 1.135 502 T CB -0.169 68.600 68.868 -0.165 0.000 0.869 502 T HN 0.204 nan 8.240 nan 0.000 0.466 503 E N 1.361 121.460 120.200 -0.169 0.000 2.028 503 E HA -0.010 4.341 4.350 0.001 0.000 0.191 503 E C 1.880 178.382 176.600 -0.163 0.000 0.988 503 E CA 0.781 57.094 56.400 -0.145 0.000 0.799 503 E CB -0.608 29.013 29.700 -0.132 0.000 0.755 503 E HN 0.488 nan 8.360 nan 0.000 0.447 504 I N 1.151 121.599 120.570 -0.203 0.000 2.248 504 I HA -0.267 3.903 4.170 0.001 0.000 0.248 504 I C 2.176 178.208 176.117 -0.141 0.000 1.107 504 I CA 1.249 62.440 61.300 -0.182 0.000 1.373 504 I CB -0.544 37.348 38.000 -0.179 0.000 1.055 504 I HN 0.071 nan 8.210 nan 0.000 0.418 505 K N 1.695 121.989 120.400 -0.178 0.000 2.113 505 K HA -0.186 4.135 4.320 0.001 0.000 0.208 505 K C 1.521 177.967 176.600 -0.258 0.000 1.047 505 K CA 1.692 57.823 56.287 -0.260 0.000 0.928 505 K CB -0.242 32.064 32.500 -0.323 0.000 0.716 505 K HN 0.251 nan 8.250 nan 0.000 0.446 506 K N -0.183 120.101 120.400 -0.192 0.000 2.504 506 K HA 0.024 4.345 4.320 0.001 0.000 0.199 506 K C 1.155 177.675 176.600 -0.133 0.000 1.028 506 K CA 0.187 56.379 56.287 -0.158 0.000 1.164 506 K CB 0.337 32.768 32.500 -0.116 0.000 0.877 506 K HN 0.135 nan 8.250 nan 0.000 0.508 507 Q N 0.451 120.162 119.800 -0.148 0.000 2.316 507 Q HA 0.222 4.563 4.340 0.001 0.000 0.235 507 Q C -0.309 175.487 176.000 -0.339 0.000 0.863 507 Q CA 0.136 55.862 55.803 -0.128 0.000 0.939 507 Q CB 0.682 29.407 28.738 -0.021 0.000 1.108 507 Q HN 0.202 nan 8.270 nan 0.000 0.522 508 I N 3.325 123.667 120.570 -0.380 0.000 2.342 508 I HA 0.289 4.459 4.170 0.001 0.000 0.291 508 I C -2.015 173.874 176.117 -0.379 0.000 1.010 508 I CA -2.355 58.571 61.300 -0.623 0.000 1.308 508 I CB 1.362 39.260 38.000 -0.171 0.000 1.400 508 I HN 0.030 nan 8.210 nan 0.000 0.488 509 P HA 0.007 nan 4.420 nan 0.000 0.267 509 P C 0.355 177.643 177.300 -0.019 0.000 1.328 509 P CA -0.136 62.873 63.100 -0.151 0.000 0.990 509 P CB 0.967 32.603 31.700 -0.108 0.000 1.168 510 Q N 3.620 123.415 119.800 -0.008 0.000 2.221 510 Q HA -0.275 4.065 4.340 0.001 0.000 0.220 510 Q C 1.870 177.941 176.000 0.118 0.000 1.057 510 Q CA 2.880 58.721 55.803 0.063 0.000 0.949 510 Q CB -0.557 28.198 28.738 0.029 0.000 1.077 510 Q HN 0.665 nan 8.270 nan 0.000 0.436 511 K N 0.027 120.474 120.400 0.078 0.000 2.032 511 K HA -0.160 4.160 4.320 0.001 0.000 0.209 511 K C 1.895 178.556 176.600 0.102 0.000 1.048 511 K CA 1.628 57.962 56.287 0.079 0.000 0.927 511 K CB -0.393 32.140 32.500 0.055 0.000 0.712 511 K HN 0.252 nan 8.250 nan 0.000 0.441 512 E N 0.593 120.866 120.200 0.122 0.000 2.005 512 E HA -0.230 4.120 4.350 0.001 0.000 0.198 512 E C 1.884 178.584 176.600 0.167 0.000 1.010 512 E CA 1.682 58.173 56.400 0.151 0.000 0.825 512 E CB -0.419 29.419 29.700 0.229 0.000 0.769 512 E HN 0.457 nan 8.360 nan 0.000 0.456 513 W N 2.219 123.548 121.300 0.047 0.000 2.321 513 W HA -0.234 4.426 4.660 0.001 0.000 0.285 513 W C 1.666 178.199 176.519 0.024 0.000 1.213 513 W CA 1.859 59.227 57.345 0.038 0.000 1.205 513 W CB -0.051 29.419 29.460 0.016 0.000 1.134 513 W HN 0.114 nan 8.180 nan 0.000 0.549 514 D N -0.534 119.976 120.400 0.184 0.000 2.106 514 D HA -0.187 4.454 4.640 0.001 0.000 0.203 514 D C 2.076 178.361 176.300 -0.024 0.000 0.977 514 D CA 1.364 55.413 54.000 0.082 0.000 0.844 514 D CB -0.624 40.241 40.800 0.108 0.000 1.002 514 D HN -0.004 nan 8.370 nan 0.000 0.461 515 K N 1.012 121.412 120.400 0.001 0.000 2.362 515 K HA -0.118 4.203 4.320 0.001 0.000 0.202 515 K C 1.606 178.164 176.600 -0.070 0.000 1.045 515 K CA 0.651 56.925 56.287 -0.021 0.000 0.936 515 K CB 0.068 32.571 32.500 0.004 0.000 0.747 515 K HN 0.036 nan 8.250 nan 0.000 0.467 516 V N 0.737 120.573 119.914 -0.131 0.000 2.331 516 V HA -0.171 3.950 4.120 0.001 0.000 0.242 516 V C 2.391 178.320 176.094 -0.274 0.000 1.034 516 V CA 1.402 63.578 62.300 -0.206 0.000 1.027 516 V CB -0.118 31.530 31.823 -0.291 0.000 0.667 516 V HN 0.307 nan 8.190 nan 0.000 0.457 517 V N -0.776 118.892 119.914 -0.411 0.000 2.626 517 V HA -0.094 4.027 4.120 0.001 0.000 0.252 517 V C 1.110 177.087 176.094 -0.195 0.000 1.067 517 V CA 1.697 63.761 62.300 -0.393 0.000 1.081 517 V CB -1.383 30.107 31.823 -0.555 0.000 0.686 517 V HN 0.651 nan 8.190 nan 0.000 0.468 518 N N 1.539 120.158 118.700 -0.135 0.000 3.254 518 N HA 0.216 4.956 4.740 0.001 0.000 0.308 518 N C -0.068 175.403 175.510 -0.066 0.000 1.281 518 N CA 0.211 53.217 53.050 -0.073 0.000 1.212 518 N CB 0.134 38.596 38.487 -0.041 0.000 1.478 518 N HN 0.570 nan 8.380 nan 0.000 0.548 519 T N -0.242 114.265 114.554 -0.077 0.000 2.907 519 T HA 0.384 4.735 4.350 0.001 0.000 0.292 519 T C -1.816 172.854 174.700 -0.051 0.000 1.043 519 T CA -1.774 60.288 62.100 -0.064 0.000 1.003 519 T CB 1.691 70.513 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 -0.109 177.172 177.300 -0.031 0.000 1.241 520 P CA -0.112 62.970 63.100 -0.030 0.000 0.816 520 P CB 0.335 32.022 31.700 -0.022 0.000 1.150 521 N N 0.877 119.553 118.700 -0.039 0.000 2.521 521 N HA 0.115 4.855 4.740 0.001 0.000 0.236 521 N C 0.859 176.342 175.510 -0.044 0.000 1.067 521 N CA 0.102 53.127 53.050 -0.041 0.000 0.939 521 N CB 0.881 39.341 38.487 -0.044 0.000 1.201 521 N HN -0.135 nan 8.380 nan 0.000 0.511 522 S N 2.408 118.086 115.700 -0.037 0.000 2.401 522 S HA -0.237 4.233 4.470 0.001 0.000 0.236 522 S C 1.750 176.328 174.600 -0.037 0.000 1.058 522 S CA 1.322 59.503 58.200 -0.033 0.000 1.151 522 S CB -0.218 62.969 63.200 -0.022 0.000 1.049 522 S HN 0.596 nan 8.310 nan 0.000 0.432 523 L N 1.569 122.767 121.223 -0.041 0.000 2.201 523 L HA 0.042 4.382 4.340 0.001 0.000 0.212 523 L C 2.160 179.004 176.870 -0.045 0.000 1.105 523 L CA 1.722 56.538 54.840 -0.042 0.000 0.775 523 L CB -0.550 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 -0.723 119.447 120.200 -0.051 0.000 2.152 524 E HA -0.237 4.114 4.350 0.001 0.000 0.192 524 E C 2.112 178.675 176.600 -0.063 0.000 0.983 524 E CA 0.612 56.981 56.400 -0.053 0.000 0.818 524 E CB 0.056 29.725 29.700 -0.052 0.000 0.758 524 E HN 0.470 nan 8.360 nan 0.000 0.467 525 K N 0.968 121.325 120.400 -0.071 0.000 2.001 525 K HA -0.303 4.017 4.320 0.001 0.000 0.214 525 K C 2.297 178.843 176.600 -0.090 0.000 1.050 525 K CA 2.053 58.279 56.287 -0.101 0.000 0.934 525 K CB -0.242 32.197 32.500 -0.103 0.000 0.718 525 K HN 0.092 nan 8.250 nan 0.000 0.443 526 Q N 0.859 120.625 119.800 -0.056 0.000 2.082 526 Q HA -0.286 4.054 4.340 0.001 0.000 0.211 526 Q C 2.083 178.068 176.000 -0.026 0.000 1.002 526 Q CA 2.323 58.109 55.803 -0.029 0.000 0.868 526 Q CB -0.098 28.633 28.738 -0.012 0.000 0.931 526 Q HN 0.264 nan 8.270 nan 0.000 0.414 527 K N -0.764 119.618 120.400 -0.031 0.000 1.991 527 K HA -0.161 4.159 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 1.402 57.673 56.287 -0.026 0.000 0.932 527 K CB -0.666 31.816 32.500 -0.030 0.000 0.717 527 K HN 0.471 nan 8.250 nan 0.000 0.441 528 G N 0.635 109.401 108.800 -0.056 0.000 2.503 528 G HA2 -0.267 3.693 3.960 0.001 0.000 0.221 528 G HA3 -0.267 3.693 3.960 0.001 0.000 0.221 528 G C 1.482 176.345 174.900 -0.061 0.000 1.131 528 G CA 1.259 46.318 45.100 -0.068 0.000 0.756 528 G HN 0.192 nan 8.290 nan 0.000 0.572 529 V N 0.766 120.638 119.914 -0.069 0.000 2.229 529 V HA -0.178 3.942 4.120 0.001 0.000 0.243 529 V C 3.112 179.248 176.094 0.070 0.000 1.042 529 V CA 2.409 64.704 62.300 -0.008 0.000 1.000 529 V CB -1.199 30.630 31.823 0.009 0.000 0.637 529 V HN 0.411 nan 8.190 nan 0.000 0.446 530 T N 0.713 115.295 114.554 0.046 0.000 2.649 530 T HA -0.262 4.088 4.350 0.001 0.000 0.268 530 T C 1.806 176.529 174.700 0.039 0.000 1.036 530 T CA 1.993 64.122 62.100 0.049 0.000 1.157 530 T CB -0.477 68.408 68.868 0.029 0.000 0.861 530 T HN 0.425 nan 8.240 nan 0.000 0.445 531 N N 1.008 119.717 118.700 0.016 0.000 2.084 531 N HA 0.025 4.765 4.740 0.001 0.000 0.190 531 N C 1.971 177.483 175.510 0.004 0.000 1.030 531 N CA 0.808 53.855 53.050 -0.005 0.000 0.849 531 N CB -0.576 37.898 38.487 -0.023 0.000 1.012 531 N HN 0.330 nan 8.380 nan 0.000 0.423 532 L N 1.120 122.376 121.223 0.055 0.000 1.990 532 L HA -0.173 4.167 4.340 0.001 0.000 0.213 532 L C 2.475 179.448 176.870 0.171 0.000 1.072 532 L CA 1.009 55.936 54.840 0.145 0.000 0.755 532 L CB -0.448 41.782 42.059 0.285 0.000 0.889 532 L HN 0.199 nan 8.230 nan 0.000 0.432 533 L N -0.342 120.983 121.223 0.168 0.000 2.079 533 L HA -0.268 4.072 4.340 0.001 0.000 0.210 533 L C 2.444 179.369 176.870 0.091 0.000 1.081 533 L CA 1.426 56.352 54.840 0.144 0.000 0.752 533 L CB -0.082 42.051 42.059 0.123 0.000 0.896 533 L HN 0.220 nan 8.230 nan 0.000 0.433 534 I N -0.142 120.456 120.570 0.046 0.000 2.163 534 I HA -0.330 3.840 4.170 0.001 0.000 0.240 534 I C 2.643 178.747 176.117 -0.022 0.000 1.081 534 I CA 1.513 62.819 61.300 0.010 0.000 1.353 534 I CB -0.436 37.554 38.000 -0.017 0.000 1.054 534 I HN 0.271 nan 8.210 nan 0.000 0.407 535 K N 0.907 121.249 120.400 -0.097 0.000 1.978 535 K HA -0.226 4.094 4.320 0.001 0.000 0.214 535 K C 1.976 178.450 176.600 -0.209 0.000 1.049 535 K CA 1.967 58.113 56.287 -0.234 0.000 0.939 535 K CB -0.302 31.918 32.500 -0.466 0.000 0.721 535 K HN 0.182 nan 8.250 nan 0.000 0.441 536 Y N -0.600 119.752 120.300 0.086 0.000 2.553 536 Y HA 0.117 4.667 4.550 0.000 0.000 0.303 536 Y C 1.697 177.671 175.900 0.123 0.000 1.194 536 Y CA 0.654 58.816 58.100 0.104 0.000 1.305 536 Y CB 0.486 38.996 38.460 0.083 0.000 1.045 536 Y HN 0.367 nan 8.280 nan 0.000 0.514 537 G N -1.687 107.241 108.800 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 1.163 176.224 174.900 0.268 0.000 1.486 537 G CA 0.037 45.252 45.100 0.192 0.000 0.553 537 G HN 0.245 nan 8.290 nan 0.000 1.124 538 I N 0.978 121.643 120.570 0.159 0.000 3.035 538 I HA 0.184 4.354 4.170 0.001 0.000 0.271 538 I C 1.103 177.220 176.117 -0.001 0.000 1.190 538 I CA 0.093 61.464 61.300 0.118 0.000 1.472 538 I CB 0.329 38.355 38.000 0.043 0.000 1.116 538 I HN 0.128 nan 8.210 nan 0.000 0.443 539 E N 2.837 123.037 120.200 0.000 0.000 2.413 539 E HA 0.087 4.438 4.350 0.001 0.000 0.263 539 E C -0.376 176.180 176.600 -0.073 0.000 1.015 539 E CA 0.114 56.474 56.400 -0.067 0.000 0.916 539 E CB 0.592 30.256 29.700 -0.059 0.000 0.947 539 E HN 0.199 nan 8.360 nan 0.000 0.440 540 R N 3.170 123.584 120.500 -0.143 0.000 2.502 540 R HA 0.333 4.673 4.340 0.001 0.000 0.300 540 R C -0.711 175.512 176.300 -0.128 0.000 0.984 540 R CA -0.909 55.101 56.100 -0.150 0.000 0.882 540 R CB 1.495 31.657 30.300 -0.230 0.000 1.180 540 R HN 0.321 nan 8.270 nan 0.000 0.444 541 K N 2.700 123.041 120.400 -0.099 0.000 2.185 541 K HA 0.526 4.847 4.320 0.001 0.000 0.240 541 K C -2.358 174.195 176.600 -0.078 0.000 0.983 541 K CA -2.060 54.179 56.287 -0.081 0.000 0.873 541 K CB 1.270 33.734 32.500 -0.059 0.000 1.118 541 K HN 0.334 nan 8.250 nan 0.000 0.441 542 P HA 0.272 nan 4.420 nan 0.000 0.278 542 P C -0.988 176.289 177.300 -0.038 0.000 1.266 542 P CA -0.137 62.932 63.100 -0.052 0.000 0.807 542 P CB 0.923 32.596 31.700 -0.044 0.000 1.094 543 D N -1.391 118.993 120.400 -0.027 0.000 2.886 543 D HA 0.096 4.736 4.640 0.001 0.000 0.216 543 D C 1.031 177.329 176.300 -0.002 0.000 1.256 543 D CA -0.300 53.689 54.000 -0.017 0.000 0.844 543 D CB 1.795 42.581 40.800 -0.025 0.000 1.669 543 D HN 0.238 nan 8.370 nan 0.000 0.513 544 S N 1.483 117.186 115.700 0.005 0.000 2.359 544 S HA -0.191 4.279 4.470 0.001 0.000 0.224 544 S C 1.721 176.335 174.600 0.024 0.000 1.035 544 S CA 2.197 60.409 58.200 0.020 0.000 1.018 544 S CB -0.696 62.517 63.200 0.022 0.000 0.876 544 S HN 0.671 nan 8.310 nan 0.000 0.448 545 T N 1.167 115.728 114.554 0.011 0.000 2.837 545 T HA 0.155 4.505 4.350 0.001 0.000 0.242 545 T C 1.384 176.084 174.700 -0.000 0.000 1.044 545 T CA 0.357 62.459 62.100 0.003 0.000 1.202 545 T CB -0.586 68.279 68.868 -0.004 0.000 0.905 545 T HN 0.346 nan 8.240 nan 0.000 0.413 546 K N 2.102 122.498 120.400 -0.006 0.000 2.591 546 K HA 0.410 4.730 4.320 0.001 0.000 0.197 546 K C 1.288 177.906 176.600 0.031 0.000 1.026 546 K CA 0.143 56.431 56.287 0.002 0.000 1.127 546 K CB -0.502 31.981 32.500 -0.028 0.000 0.871 546 K HN 0.675 nan 8.250 nan 0.000 0.507 547 G N 0.906 109.721 108.800 0.024 0.000 2.525 547 G HA2 -0.269 3.691 3.960 0.001 0.000 0.248 547 G HA3 -0.269 3.691 3.960 0.001 0.000 0.248 547 G C -0.431 174.454 174.900 -0.025 0.000 1.238 547 G CA -0.386 44.720 45.100 0.011 0.000 0.926 547 G HN 0.204 nan 8.290 nan 0.000 0.574 548 T N 1.721 116.245 114.554 -0.050 0.000 2.767 548 T HA 0.656 5.006 4.350 0.001 0.000 0.284 548 T C 0.342 174.983 174.700 -0.098 0.000 0.973 548 T CA 0.556 62.609 62.100 -0.077 0.000 0.996 548 T CB 0.727 69.539 68.868 -0.092 0.000 0.927 548 T HN 1.487 nan 8.240 nan 0.000 0.456 549 L N -0.298 120.855 121.223 -0.116 0.000 2.933 549 L HA 0.848 5.189 4.340 0.001 0.000 0.271 549 L C -0.400 176.357 176.870 -0.188 0.000 1.071 549 L CA -1.199 53.544 54.840 -0.161 0.000 0.938 549 L CB 1.415 43.362 42.059 -0.187 0.000 1.534 549 L HN 0.457 nan 8.230 nan 0.000 0.396 550 S N -0.968 114.555 115.700 -0.295 0.000 2.671 550 S HA 0.422 4.892 4.470 0.001 0.000 0.272 550 S C 0.509 174.932 174.600 -0.296 0.000 1.174 550 S CA -0.111 57.917 58.200 -0.287 0.000 1.004 550 S CB 0.992 63.930 63.200 -0.437 0.000 1.077 550 S HN 0.834 nan 8.310 nan 0.000 0.553 551 N N -0.086 118.521 118.700 -0.156 0.000 2.220 551 N HA 0.008 4.749 4.740 0.001 0.000 0.182 551 N C 1.869 177.345 175.510 -0.056 0.000 1.023 551 N CA 1.066 54.086 53.050 -0.049 0.000 0.856 551 N CB -0.207 38.337 38.487 0.094 0.000 0.997 551 N HN 0.801 nan 8.380 nan 0.000 0.429 552 W N 2.006 123.337 121.300 0.052 0.000 2.358 552 W HA -0.094 4.567 4.660 0.000 0.000 0.303 552 W C 1.363 177.901 176.519 0.032 0.000 1.208 552 W CA 0.579 57.951 57.345 0.044 0.000 1.274 552 W CB -1.110 28.383 29.460 0.055 0.000 1.138 552 W HN 0.099 nan 8.180 nan 0.000 0.515 553 Q N 1.153 120.128 119.800 -1.375 0.000 2.197 553 Q HA -0.275 4.065 4.340 0.001 0.000 0.211 553 Q C 2.294 178.025 176.000 -0.448 0.000 0.993 553 Q CA 2.675 57.772 55.803 -1.178 0.000 0.883 553 Q CB -0.394 27.693 28.738 -1.085 0.000 0.916 553 Q HN 0.458 nan 8.270 nan 0.000 0.418 554 K N 0.738 120.962 120.400 -0.293 0.000 2.044 554 K HA -0.176 4.144 4.320 0.001 0.000 0.204 554 K C 2.220 178.779 176.600 -0.069 0.000 1.049 554 K CA 1.251 57.450 56.287 -0.146 0.000 0.945 554 K CB 0.014 32.453 32.500 -0.102 0.000 0.724 554 K HN 0.239 nan 8.250 nan 0.000 0.440 555 Q N 0.301 120.090 119.800 -0.018 0.000 2.181 555 Q HA -0.233 4.107 4.340 0.001 0.000 0.205 555 Q C 1.999 178.025 176.000 0.043 0.000 0.980 555 Q CA 1.737 57.561 55.803 0.034 0.000 0.862 555 Q CB -0.346 28.441 28.738 0.082 0.000 0.905 555 Q HN 0.271 nan 8.270 nan 0.000 0.429 556 M N 0.626 120.253 119.600 0.045 0.000 2.123 556 M HA -0.027 4.454 4.480 0.001 0.000 0.263 556 M C 1.769 178.068 176.300 -0.002 0.000 1.069 556 M CA 1.257 56.594 55.300 0.063 0.000 1.133 556 M CB -0.281 32.381 32.600 0.104 0.000 1.356 556 M HN 0.318 nan 8.290 nan 0.000 0.415 557 L N 0.489 121.678 121.223 -0.057 0.000 2.187 557 L HA -0.211 4.129 4.340 0.001 0.000 0.213 557 L C 1.391 178.242 176.870 -0.032 0.000 1.100 557 L CA 1.792 56.593 54.840 -0.065 0.000 0.765 557 L CB -0.801 41.202 42.059 -0.093 0.000 0.904 557 L HN 0.354 nan 8.230 nan 0.000 0.437 558 D N -1.352 119.038 120.400 -0.017 0.000 2.113 558 D HA -0.075 4.565 4.640 0.001 0.000 0.206 558 D C 2.124 178.424 176.300 0.001 0.000 0.979 558 D CA 0.583 54.577 54.000 -0.010 0.000 0.862 558 D CB -0.121 40.678 40.800 -0.003 0.000 1.013 558 D HN -0.044 nan 8.370 nan 0.000 0.455 559 R N 0.547 121.057 120.500 0.017 0.000 2.257 559 R HA -0.182 4.158 4.340 0.001 0.000 0.265 559 R C 2.273 178.609 176.300 0.060 0.000 1.191 559 R CA 0.669 56.787 56.100 0.029 0.000 1.010 559 R CB -1.102 29.233 30.300 0.060 0.000 0.883 559 R HN 0.361 nan 8.270 nan 0.000 0.473 560 L N 0.403 121.677 121.223 0.085 0.000 1.988 560 L HA -0.166 4.175 4.340 0.001 0.000 0.207 560 L C 2.079 179.073 176.870 0.207 0.000 1.071 560 L CA 1.328 56.300 54.840 0.221 0.000 0.744 560 L CB -0.611 41.522 42.059 0.123 0.000 0.893 560 L HN 0.205 nan 8.230 nan 0.000 0.433 561 N N 0.502 119.242 118.700 0.068 0.000 2.069 561 N HA -0.252 4.489 4.740 0.001 0.000 0.191 561 N C 1.722 177.183 175.510 -0.081 0.000 1.031 561 N CA 1.813 54.850 53.050 -0.021 0.000 0.852 561 N CB -0.324 38.137 38.487 -0.044 0.000 1.018 561 N HN 0.505 nan 8.380 nan 0.000 0.423 562 E N 1.080 121.203 120.200 -0.128 0.000 2.204 562 E HA -0.088 4.262 4.350 0.001 0.000 0.195 562 E C 1.787 178.096 176.600 -0.484 0.000 0.990 562 E CA 1.153 57.352 56.400 -0.336 0.000 0.821 562 E CB -0.049 29.458 29.700 -0.323 0.000 0.750 562 E HN 0.292 nan 8.360 nan 0.000 0.477 563 A N 1.292 123.993 122.820 -0.199 0.000 1.929 563 A HA -0.036 4.285 4.320 0.001 0.000 0.216 563 A C 2.241 179.786 177.584 -0.066 0.000 1.176 563 A CA 1.174 53.151 52.037 -0.099 0.000 0.628 563 A CB -0.424 18.630 19.000 0.090 0.000 0.816 563 A HN 0.407 nan 8.150 nan 0.000 0.444 564 V N -3.193 116.678 119.914 -0.072 0.000 3.415 564 V HA 0.331 4.451 4.120 0.001 0.000 0.325 564 V C 1.109 177.215 176.094 0.020 0.000 1.313 564 V CA 1.205 63.463 62.300 -0.071 0.000 1.228 564 V CB -0.437 31.165 31.823 -0.368 0.000 1.131 564 V HN 0.442 nan 8.190 nan 0.000 0.433 565 K N -0.471 119.926 120.400 -0.003 0.000 2.344 565 K HA 0.320 4.640 4.320 0.001 0.000 0.200 565 K C 1.427 178.157 176.600 0.216 0.000 1.132 565 K CA 0.165 56.506 56.287 0.090 0.000 0.935 565 K CB 0.129 32.635 32.500 0.011 0.000 1.089 565 K HN 0.543 nan 8.250 nan 0.000 0.496 566 Y N 0.306 120.648 120.300 0.069 0.000 2.584 566 Y HA -0.075 4.475 4.550 0.000 0.000 0.317 566 Y C 1.817 177.748 175.900 0.051 0.000 1.208 566 Y CA -0.108 58.024 58.100 0.053 0.000 1.299 566 Y CB 0.346 38.835 38.460 0.048 0.000 1.047 566 Y HN 0.153 nan 8.280 nan 0.000 0.506 567 T N -1.623 113.051 114.554 0.199 0.000 3.045 567 T HA 0.250 4.600 4.350 0.001 0.000 0.239 567 T C 1.674 176.445 174.700 0.118 0.000 1.008 567 T CA 1.258 63.439 62.100 0.135 0.000 1.143 567 T CB 0.106 69.052 68.868 0.130 0.000 0.894 567 T HN 0.507 nan 8.240 nan 0.000 0.451 568 G N -0.701 108.190 108.800 0.152 0.000 3.743 568 G HA2 -0.044 3.916 3.960 0.001 0.000 0.220 568 G HA3 -0.044 3.916 3.960 0.001 0.000 0.220 568 G C -0.171 174.805 174.900 0.126 0.000 0.914 568 G CA -0.332 44.835 45.100 0.112 0.000 0.851 568 G HN 0.429 nan 8.290 nan 0.000 0.573 569 Y N 3.054 123.399 120.300 0.076 0.000 2.810 569 Y HA 0.323 4.873 4.550 0.000 0.000 0.332 569 Y C 1.613 177.520 175.900 0.012 0.000 1.243 569 Y CA 1.789 59.917 58.100 0.048 0.000 1.537 569 Y CB 1.210 39.682 38.460 0.019 0.000 1.265 569 Y HN 0.179 nan 8.280 nan 0.000 0.572 570 T N 0.560 114.773 114.554 -0.569 0.000 3.231 570 T HA 0.260 4.610 4.350 0.001 0.000 0.292 570 T C 1.093 175.483 174.700 -0.516 0.000 1.001 570 T CA 0.143 62.020 62.100 -0.372 0.000 0.920 570 T CB -0.178 68.557 68.868 -0.222 0.000 1.140 570 T HN 0.712 nan 8.240 nan 0.000 0.525 571 G N -0.140 107.978 108.800 -1.137 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 1.009 175.905 174.900 -0.007 0.000 1.159 571 G CA 0.061 44.789 45.100 -0.620 0.000 0.760 571 G HN 1.072 nan 8.290 nan 0.000 0.550 572 G N 0.200 109.089 108.800 0.148 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 -0.917 174.119 174.900 0.226 0.000 1.647 572 G CA -0.013 45.197 45.100 0.183 0.000 1.146 572 G HN 0.403 nan 8.290 nan 0.000 0.545 573 D N -0.723 119.727 120.400 0.083 0.000 2.269 573 D HA 0.651 5.291 4.640 0.001 0.000 0.244 573 D C 0.647 176.788 176.300 -0.264 0.000 0.992 573 D CA 0.187 54.132 54.000 -0.092 0.000 0.894 573 D CB 2.516 43.265 40.800 -0.085 0.000 1.248 573 D HN 0.585 nan 8.370 nan 0.000 0.468 574 V N 1.139 120.810 119.914 -0.406 0.000 3.635 574 V HA 0.210 4.330 4.120 0.001 0.000 0.266 574 V C -0.553 175.334 176.094 -0.344 0.000 1.316 574 V CA 0.514 62.449 62.300 -0.607 0.000 1.060 574 V CB 0.693 31.894 31.823 -1.036 0.000 0.820 574 V HN 0.330 nan 8.190 nan 0.000 0.447 575 V N 1.735 121.549 119.914 -0.167 0.000 2.376 575 V HA 0.391 4.511 4.120 0.001 0.000 0.287 575 V C 0.365 176.334 176.094 -0.209 0.000 1.015 575 V CA -0.202 62.036 62.300 -0.105 0.000 0.834 575 V CB 1.085 32.920 31.823 0.020 0.000 1.001 575 V HN 0.461 nan 8.190 nan 0.000 0.428 576 N N 2.362 120.831 118.700 -0.385 0.000 2.414 576 N HA 0.121 4.861 4.740 0.001 0.000 0.177 576 N C 0.174 175.492 175.510 -0.320 0.000 1.062 576 N CA 0.155 52.990 53.050 -0.359 0.000 0.890 576 N CB 0.434 38.709 38.487 -0.353 0.000 1.070 576 N HN 0.874 nan 8.380 nan 0.000 0.454 577 H N -1.588 117.450 119.070 -0.054 0.000 3.048 577 H HA 0.636 5.193 4.556 0.000 0.000 0.296 577 H C 0.253 175.527 175.328 -0.090 0.000 1.508 577 H CA -1.159 54.849 56.048 -0.067 0.000 1.250 577 H CB -0.087 29.642 29.762 -0.055 0.000 1.896 577 H HN -0.097 nan 8.280 nan 0.000 0.604 578 G N -0.543 108.336 108.800 0.131 0.000 2.651 578 G HA2 0.395 4.355 3.960 0.001 0.000 0.260 578 G HA3 0.395 4.355 3.960 0.001 0.000 0.260 578 G C -0.184 174.703 174.900 -0.023 0.000 1.216 578 G CA -0.172 44.919 45.100 -0.015 0.000 0.913 578 G HN 0.939 nan 8.290 nan 0.000 0.535 579 T N -1.915 112.577 114.554 -0.104 0.000 2.930 579 T HA 0.135 4.486 4.350 0.001 0.000 0.306 579 T C 1.160 175.741 174.700 -0.198 0.000 1.045 579 T CA 0.227 62.236 62.100 -0.151 0.000 1.134 579 T CB 1.483 70.225 68.868 -0.211 0.000 0.961 579 T HN 0.621 nan 8.240 nan 0.000 0.545 580 E N 1.025 121.087 120.200 -0.230 0.000 2.394 580 E HA -0.234 4.117 4.350 0.001 0.000 0.202 580 E C 1.764 178.167 176.600 -0.329 0.000 1.029 580 E CA 1.153 57.401 56.400 -0.253 0.000 0.855 580 E CB -0.375 29.188 29.700 -0.229 0.000 0.770 580 E HN 0.634 nan 8.360 nan 0.000 0.527 581 Q N 0.221 119.789 119.800 -0.386 0.000 2.500 581 Q HA -0.041 4.299 4.340 0.001 0.000 0.213 581 Q C 0.425 176.309 176.000 -0.193 0.000 0.974 581 Q CA 0.971 56.560 55.803 -0.358 0.000 0.918 581 Q CB 0.176 28.665 28.738 -0.416 0.000 0.980 581 Q HN 0.407 nan 8.270 nan 0.000 0.505 582 D N -1.294 119.000 120.400 -0.175 0.000 2.469 582 D HA 0.045 4.685 4.640 0.001 0.000 0.215 582 D C -0.116 176.082 176.300 -0.170 0.000 1.154 582 D CA -0.065 53.837 54.000 -0.164 0.000 0.832 582 D CB 0.219 40.943 40.800 -0.127 0.000 1.008 582 D HN 0.190 nan 8.370 nan 0.000 0.506 583 N N 1.727 120.318 118.700 -0.183 0.000 2.906 583 N HA -0.018 4.722 4.740 0.001 0.000 0.282 583 N C 0.878 176.299 175.510 -0.150 0.000 1.293 583 N CA 0.127 53.098 53.050 -0.131 0.000 1.059 583 N CB 0.338 38.760 38.487 -0.109 0.000 1.388 583 N HN 0.261 nan 8.380 nan 0.000 0.533 584 E N 0.031 120.125 120.200 -0.177 0.000 2.160 584 E HA -0.185 4.166 4.350 0.001 0.000 0.195 584 E C 1.270 177.753 176.600 -0.195 0.000 0.991 584 E CA 0.876 57.156 56.400 -0.200 0.000 0.810 584 E CB 0.307 29.892 29.700 -0.192 0.000 0.742 584 E HN 0.386 nan 8.360 nan 0.000 0.466 585 E N 0.091 120.191 120.200 -0.168 0.000 1.996 585 E HA -0.117 4.233 4.350 0.001 0.000 0.197 585 E C 0.412 176.700 176.600 -0.521 0.000 1.002 585 E CA 1.154 57.384 56.400 -0.283 0.000 0.840 585 E CB -0.167 29.525 29.700 -0.013 0.000 0.786 585 E HN 0.175 nan 8.360 nan 0.000 0.469 586 F N 1.654 121.568 119.950 -0.060 0.000 2.438 586 F HA 0.270 4.797 4.527 0.000 0.000 0.315 586 F C -2.091 173.686 175.800 -0.039 0.000 1.258 586 F CA -2.447 55.528 58.000 -0.041 0.000 1.180 586 F CB 0.763 39.746 39.000 -0.029 0.000 1.412 586 F HN -0.124 nan 8.300 nan 0.000 0.544 587 P HA -0.008 nan 4.420 nan 0.000 0.266 587 P C -0.262 177.077 177.300 0.066 0.000 1.195 587 P CA 0.354 63.474 63.100 0.032 0.000 0.768 587 P CB 1.276 32.982 31.700 0.010 0.000 0.838 588 E N 1.877 122.124 120.200 0.079 0.000 2.244 588 E HA 0.349 4.699 4.350 0.001 0.000 0.266 588 E C -0.451 176.182 176.600 0.055 0.000 0.914 588 E CA -0.915 55.528 56.400 0.073 0.000 0.794 588 E CB 2.291 32.054 29.700 0.105 0.000 1.210 588 E HN 0.378 nan 8.360 nan 0.000 0.414 589 K N 2.173 122.554 120.400 -0.032 0.000 2.464 589 K HA 0.274 4.594 4.320 0.001 0.000 0.252 589 K C -1.432 175.213 176.600 0.076 0.000 1.000 589 K CA -0.436 55.747 56.287 -0.173 0.000 0.951 589 K CB 0.426 32.650 32.500 -0.460 0.000 1.183 589 K HN 0.332 nan 8.250 nan 0.000 0.445 590 D N 2.769 123.351 120.400 0.303 0.000 2.193 590 D HA 0.172 4.812 4.640 0.001 0.000 0.244 590 D C 0.733 177.217 176.300 0.307 0.000 1.064 590 D CA -0.677 53.485 54.000 0.269 0.000 0.845 590 D CB 1.397 42.362 40.800 0.274 0.000 1.148 590 D HN 0.360 nan 8.370 nan 0.000 0.464 591 N N 1.565 120.386 118.700 0.203 0.000 2.028 591 N HA -0.115 4.626 4.740 0.001 0.000 0.194 591 N C -0.104 175.482 175.510 0.126 0.000 1.050 591 N CA 0.991 54.151 53.050 0.183 0.000 0.848 591 N CB -0.046 38.513 38.487 0.119 0.000 1.038 591 N HN 0.564 nan 8.380 nan 0.000 0.423 592 E N 0.789 121.044 120.200 0.090 0.000 2.223 592 E HA 0.242 4.592 4.350 0.001 0.000 0.282 592 E C -0.381 176.242 176.600 0.038 0.000 1.046 592 E CA -0.090 56.339 56.400 0.048 0.000 0.857 592 E CB 1.227 30.961 29.700 0.056 0.000 1.055 592 E HN 0.132 nan 8.360 nan 0.000 0.409 593 I N 3.661 124.204 120.570 -0.044 0.000 2.406 593 I HA 0.241 4.411 4.170 0.001 0.000 0.290 593 I C -0.540 175.559 176.117 -0.031 0.000 0.999 593 I CA -0.816 60.434 61.300 -0.085 0.000 1.124 593 I CB 0.890 38.673 38.000 -0.361 0.000 1.289 593 I HN 0.490 nan 8.210 nan 0.000 0.441 594 F N 7.655 127.570 119.950 -0.057 0.000 2.410 594 F HA 0.603 5.131 4.527 0.000 0.000 0.348 594 F C -0.242 175.552 175.800 -0.011 0.000 1.106 594 F CA -0.205 57.769 58.000 -0.043 0.000 1.163 594 F CB 0.681 39.668 39.000 -0.022 0.000 1.129 594 F HN 0.245 nan 8.300 nan 0.000 0.516 595 I N 6.851 127.048 120.570 -0.622 0.000 2.730 595 I HA 0.394 4.564 4.170 0.001 0.000 0.298 595 I C -0.968 174.840 176.117 -0.515 0.000 1.089 595 I CA -0.776 60.295 61.300 -0.380 0.000 1.041 595 I CB 2.451 40.252 38.000 -0.331 0.000 1.235 595 I HN 0.392 nan 8.210 nan 0.000 0.423 596 I N 4.413 124.849 120.570 -0.223 0.000 2.495 596 I HA 0.173 4.343 4.170 0.001 0.000 0.277 596 I C -0.423 175.597 176.117 -0.163 0.000 1.045 596 I CA -0.626 60.568 61.300 -0.176 0.000 1.135 596 I CB 1.054 39.025 38.000 -0.048 0.000 1.241 596 I HN 0.679 nan 8.210 nan 0.000 0.469 597 N N 7.649 126.199 118.700 -0.249 0.000 2.340 597 N HA 0.089 4.829 4.740 0.001 0.000 0.236 597 N C -1.758 173.504 175.510 -0.414 0.000 1.296 597 N CA -1.039 51.644 53.050 -0.611 0.000 0.896 597 N CB -0.027 38.167 38.487 -0.490 0.000 1.127 597 N HN 0.269 nan 8.380 nan 0.000 0.442 598 P HA -0.125 nan 4.420 nan 0.000 0.236 598 P C 0.020 177.281 177.300 -0.064 0.000 1.172 598 P CA 1.127 64.127 63.100 -0.166 0.000 0.759 598 P CB 0.239 31.918 31.700 -0.036 0.000 0.843 599 E N -0.728 119.418 120.200 -0.090 0.000 2.216 599 E HA 0.110 4.461 4.350 0.001 0.000 0.192 599 E C 1.742 178.349 176.600 0.012 0.000 0.973 599 E CA 1.176 57.562 56.400 -0.024 0.000 0.851 599 E CB -0.280 29.404 29.700 -0.027 0.000 0.804 599 E HN 0.353 nan 8.360 nan 0.000 0.477 600 G N 1.507 110.323 108.800 0.025 0.000 2.260 600 G HA2 -0.184 3.777 3.960 0.001 0.000 0.179 600 G HA3 -0.184 3.777 3.960 0.001 0.000 0.179 600 G C -0.098 174.918 174.900 0.192 0.000 1.002 600 G CA -0.245 44.925 45.100 0.117 0.000 0.677 600 G HN 0.223 nan 8.290 nan 0.000 0.486 601 E N 0.259 120.521 120.200 0.104 0.000 2.383 601 E HA 0.503 4.854 4.350 0.001 0.000 0.264 601 E C -0.199 176.587 176.600 0.309 0.000 1.050 601 E CA -0.113 56.353 56.400 0.111 0.000 0.896 601 E CB 0.736 30.451 29.700 0.025 0.000 0.982 601 E HN 0.345 nan 8.360 nan 0.000 0.424 602 F N 1.747 121.630 119.950 -0.112 0.000 2.397 602 F HA 0.546 5.073 4.527 0.001 0.000 0.331 602 F C 0.471 176.085 175.800 -0.310 0.000 1.090 602 F CA -0.968 56.878 58.000 -0.256 0.000 1.065 602 F CB 0.964 39.942 39.000 -0.036 0.000 1.184 602 F HN 0.145 nan 8.300 nan 0.000 0.499 603 I N 2.924 123.261 120.570 -0.389 0.000 2.752 603 I HA 0.337 4.507 4.170 0.001 0.000 0.295 603 I C -1.591 174.283 176.117 -0.406 0.000 1.219 603 I CA -0.812 60.290 61.300 -0.329 0.000 1.030 603 I CB 2.916 40.701 38.000 -0.358 0.000 1.259 603 I HN 0.376 nan 8.210 nan 0.000 0.423 604 L N 5.231 126.327 121.223 -0.212 0.000 2.518 604 L HA 0.452 4.793 4.340 0.001 0.000 0.262 604 L C 0.281 177.070 176.870 -0.134 0.000 0.982 604 L CA 0.043 54.813 54.840 -0.116 0.000 0.873 604 L CB 1.585 43.683 42.059 0.065 0.000 1.198 604 L HN 0.807 nan 8.230 nan 0.000 0.427 605 T N 0.625 115.053 114.554 -0.210 0.000 2.680 605 T HA 0.228 4.578 4.350 0.001 0.000 0.314 605 T C 0.705 175.361 174.700 -0.075 0.000 1.045 605 T CA 0.078 62.075 62.100 -0.171 0.000 1.025 605 T CB 0.843 69.572 68.868 -0.231 0.000 1.000 605 T HN 0.746 nan 8.240 nan 0.000 0.535 606 K N -0.025 120.348 120.400 -0.046 0.000 2.464 606 K HA 0.260 4.580 4.320 0.001 0.000 0.206 606 K C 0.103 176.716 176.600 0.022 0.000 1.186 606 K CA -0.326 55.959 56.287 -0.004 0.000 0.990 606 K CB 0.470 32.970 32.500 -0.000 0.000 1.003 606 K HN 0.463 nan 8.250 nan 0.000 0.562 607 N N -0.707 118.000 118.700 0.012 0.000 2.405 607 N HA 0.064 4.804 4.740 0.001 0.000 0.285 607 N C -0.613 174.944 175.510 0.079 0.000 1.262 607 N CA -0.577 52.510 53.050 0.062 0.000 0.773 607 N CB 1.044 39.554 38.487 0.039 0.000 1.490 607 N HN 0.046 nan 8.380 nan 0.000 0.486 608 W N 1.457 122.755 121.300 -0.004 0.000 2.363 608 W HA -0.143 4.517 4.660 0.000 0.000 0.296 608 W C 0.587 177.088 176.519 -0.029 0.000 1.212 608 W CA 1.529 58.888 57.345 0.023 0.000 1.260 608 W CB 0.442 29.927 29.460 0.041 0.000 1.131 608 W HN 0.617 nan 8.180 nan 0.000 0.530 609 E N 0.170 120.343 120.200 -0.044 0.000 2.028 609 E HA -0.252 4.098 4.350 0.001 0.000 0.190 609 E C 2.198 178.660 176.600 -0.230 0.000 0.984 609 E CA 1.822 58.118 56.400 -0.174 0.000 0.800 609 E CB -1.165 28.498 29.700 -0.062 0.000 0.758 609 E HN 0.191 nan 8.360 nan 0.000 0.448 610 M N 0.512 120.031 119.600 -0.136 0.000 2.108 610 M HA -0.219 4.261 4.480 0.001 0.000 0.261 610 M C 1.640 177.858 176.300 -0.137 0.000 1.066 610 M CA 1.713 56.946 55.300 -0.112 0.000 1.107 610 M CB -0.222 32.340 32.600 -0.064 0.000 1.356 610 M HN 0.118 nan 8.290 nan 0.000 0.406 611 T N 0.257 114.682 114.554 -0.215 0.000 2.652 611 T HA -0.110 4.240 4.350 0.001 0.000 0.267 611 T C 1.632 176.162 174.700 -0.283 0.000 1.039 611 T CA 1.606 63.553 62.100 -0.255 0.000 1.153 611 T CB -1.034 67.604 68.868 -0.384 0.000 0.863 611 T HN 0.693 nan 8.240 nan 0.000 0.428 612 G N 1.372 109.838 108.800 -0.556 0.000 2.514 612 G HA2 -0.278 3.682 3.960 0.001 0.000 0.217 612 G HA3 -0.278 3.682 3.960 0.001 0.000 0.217 612 G C 1.681 176.244 174.900 -0.562 0.000 1.198 612 G CA 0.914 45.470 45.100 -0.906 0.000 0.780 612 G HN 0.392 nan 8.290 nan 0.000 0.565 613 R N -0.770 119.496 120.500 -0.391 0.000 2.096 613 R HA -0.113 4.227 4.340 0.001 0.000 0.240 613 R C 2.321 178.489 176.300 -0.219 0.000 1.139 613 R CA 1.659 57.596 56.100 -0.272 0.000 0.952 613 R CB -0.626 29.563 30.300 -0.185 0.000 0.854 613 R HN 0.421 nan 8.270 nan 0.000 0.436 614 F N 1.287 121.075 119.950 -0.270 0.000 2.046 614 F HA -0.225 4.302 4.527 0.000 0.000 0.297 614 F C 1.940 177.578 175.800 -0.270 0.000 1.123 614 F CA 1.736 59.600 58.000 -0.227 0.000 1.199 614 F CB -0.230 38.649 39.000 -0.202 0.000 0.972 614 F HN -0.081 nan 8.300 nan 0.000 0.474 615 I N 0.215 120.714 120.570 -0.118 0.000 2.335 615 I HA -0.293 3.877 4.170 0.001 0.000 0.251 615 I C 2.168 178.038 176.117 -0.411 0.000 1.129 615 I CA 1.681 62.804 61.300 -0.295 0.000 1.402 615 I CB -0.757 37.075 38.000 -0.279 0.000 1.069 615 I HN 0.306 nan 8.210 nan 0.000 0.424 616 E N 0.975 120.954 120.200 -0.368 0.000 2.072 616 E HA -0.233 4.117 4.350 0.001 0.000 0.191 616 E C 2.195 178.623 176.600 -0.285 0.000 0.985 616 E CA 0.999 57.217 56.400 -0.304 0.000 0.801 616 E CB -0.044 29.484 29.700 -0.288 0.000 0.750 616 E HN 0.408 nan 8.360 nan 0.000 0.452 617 K N 0.809 121.005 120.400 -0.340 0.000 2.062 617 K HA -0.098 4.222 4.320 0.001 0.000 0.205 617 K C 1.283 177.665 176.600 -0.364 0.000 1.051 617 K CA 1.567 57.665 56.287 -0.316 0.000 0.941 617 K CB 0.122 32.429 32.500 -0.320 0.000 0.719 617 K HN 0.022 nan 8.250 nan 0.000 0.440 618 N N -0.445 117.911 118.700 -0.573 0.000 2.432 618 N HA 0.119 4.860 4.740 0.001 0.000 0.174 618 N C 1.418 176.584 175.510 -0.574 0.000 1.037 618 N CA 0.584 53.296 53.050 -0.563 0.000 0.892 618 N CB 0.405 38.389 38.487 -0.839 0.000 1.049 618 N HN 0.129 nan 8.380 nan 0.000 0.442 619 I N -0.633 119.574 120.570 -0.605 0.000 3.341 619 I HA 0.048 4.218 4.170 0.001 0.000 0.243 619 I C 1.727 177.719 176.117 -0.209 0.000 1.094 619 I CA 0.431 61.410 61.300 -0.534 0.000 1.507 619 I CB -0.788 36.816 38.000 -0.659 0.000 1.441 619 I HN -0.081 nan 8.210 nan 0.000 0.465 620 T N 1.159 115.582 114.554 -0.218 0.000 2.567 620 T HA -0.242 4.108 4.350 0.001 0.000 0.261 620 T C 1.288 175.971 174.700 -0.029 0.000 1.123 620 T CA 2.179 64.233 62.100 -0.077 0.000 1.166 620 T CB -0.682 68.123 68.868 -0.105 0.000 0.860 620 T HN 0.594 nan 8.240 nan 0.000 0.436 621 G N 1.295 110.052 108.800 -0.071 0.000 4.084 621 G HA2 0.478 4.438 3.960 0.001 0.000 0.293 621 G HA3 0.478 4.438 3.960 0.001 0.000 0.293 621 G C 0.009 174.896 174.900 -0.022 0.000 1.303 621 G CA -0.264 44.814 45.100 -0.036 0.000 1.289 621 G HN 0.193 nan 8.290 nan 0.000 0.609 622 K N -0.287 120.127 120.400 0.023 0.000 2.054 622 K HA 0.387 4.707 4.320 0.001 0.000 0.248 622 K C -0.862 175.821 176.600 0.139 0.000 1.019 622 K CA -0.974 55.366 56.287 0.089 0.000 0.855 622 K CB 1.031 33.600 32.500 0.116 0.000 1.473 622 K HN -0.122 nan 8.250 nan 0.000 0.483 623 D N 1.595 122.073 120.400 0.129 0.000 2.973 623 D HA 0.172 4.812 4.640 0.001 0.000 0.263 623 D C -0.759 175.392 176.300 -0.248 0.000 1.266 623 D CA 0.157 54.116 54.000 -0.069 0.000 0.975 623 D CB -0.023 40.688 40.800 -0.150 0.000 1.032 623 D HN 0.218 nan 8.370 nan 0.000 0.510 624 Y N 0.026 120.315 120.300 -0.018 0.000 2.499 624 Y HA 0.315 4.865 4.550 0.001 0.000 0.347 624 Y C 0.025 175.935 175.900 0.016 0.000 0.987 624 Y CA -1.325 56.768 58.100 -0.011 0.000 1.044 624 Y CB 1.628 40.069 38.460 -0.032 0.000 1.245 624 Y HN 0.004 nan 8.280 nan 0.000 0.461 625 L N 3.933 125.248 121.223 0.153 0.000 2.290 625 L HA 0.473 4.813 4.340 0.001 0.000 0.284 625 L C -1.585 175.418 176.870 0.223 0.000 1.078 625 L CA -0.410 54.508 54.840 0.131 0.000 0.815 625 L CB 0.081 42.146 42.059 0.010 0.000 1.162 625 L HN 0.640 nan 8.230 nan 0.000 0.435 626 Y N 5.473 125.836 120.300 0.104 0.000 2.482 626 Y HA 0.558 5.108 4.550 0.001 0.000 0.334 626 Y C -1.634 174.357 175.900 0.152 0.000 1.091 626 Y CA -0.958 57.181 58.100 0.065 0.000 1.027 626 Y CB 1.299 39.799 38.460 0.067 0.000 1.306 626 Y HN 0.683 nan 8.280 nan 0.000 0.446 627 Y N 4.140 124.287 120.300 -0.254 0.000 2.576 627 Y HA 0.829 5.380 4.550 0.001 0.000 0.346 627 Y C -1.703 173.993 175.900 -0.341 0.000 1.018 627 Y CA -2.457 55.572 58.100 -0.120 0.000 1.050 627 Y CB 1.008 39.371 38.460 -0.162 0.000 1.280 627 Y HN 0.505 nan 8.280 nan 0.000 0.474 628 F N -0.474 119.478 119.950 0.003 0.000 2.561 628 F HA 0.538 5.065 4.527 0.001 0.000 0.321 628 F C -0.090 175.576 175.800 -0.223 0.000 1.065 628 F CA -1.718 56.151 58.000 -0.218 0.000 0.934 628 F CB 1.296 40.134 39.000 -0.270 0.000 1.215 628 F HN 0.751 nan 8.300 nan 0.000 0.471 629 N N 2.245 120.661 118.700 -0.474 0.000 2.142 629 N HA -0.117 4.623 4.740 0.001 0.000 0.282 629 N C 1.034 176.147 175.510 -0.662 0.000 1.342 629 N CA -0.210 52.366 53.050 -0.790 0.000 0.831 629 N CB 0.578 38.164 38.487 -1.501 0.000 1.083 629 N HN 0.564 nan 8.380 nan 0.000 0.492 630 R N 1.765 121.993 120.500 -0.453 0.000 2.211 630 R HA -0.104 4.236 4.340 0.001 0.000 0.240 630 R C 0.845 177.002 176.300 -0.239 0.000 1.144 630 R CA 0.856 56.751 56.100 -0.343 0.000 0.992 630 R CB -0.356 29.777 30.300 -0.278 0.000 0.869 630 R HN 0.473 nan 8.270 nan 0.000 0.462 631 S N 0.032 115.556 115.700 -0.293 0.000 2.671 631 S HA 0.127 4.598 4.470 0.001 0.000 0.220 631 S C 0.035 174.634 174.600 -0.001 0.000 0.951 631 S CA -0.253 57.853 58.200 -0.156 0.000 0.932 631 S CB -0.061 63.034 63.200 -0.176 0.000 0.777 631 S HN 0.272 nan 8.310 nan 0.000 0.508 632 Y N 2.380 122.702 120.300 0.037 0.000 2.319 632 Y HA 0.135 4.686 4.550 0.001 0.000 0.328 632 Y C 0.984 176.911 175.900 0.045 0.000 1.133 632 Y CA -0.892 57.263 58.100 0.091 0.000 1.265 632 Y CB 0.392 39.057 38.460 0.341 0.000 1.218 632 Y HN 0.185 nan 8.280 nan 0.000 0.508 633 N N 0.409 119.090 118.700 -0.032 0.000 2.936 633 N HA -0.200 4.540 4.740 0.001 0.000 0.236 633 N C -0.544 174.979 175.510 0.023 0.000 0.930 633 N CA 1.047 53.986 53.050 -0.185 0.000 0.966 633 N CB -0.819 37.749 38.487 0.135 0.000 1.090 633 N HN 0.615 nan 8.380 nan 0.000 0.592 634 K N 0.094 120.514 120.400 0.033 0.000 2.296 634 K HA 0.666 4.986 4.320 0.001 0.000 0.243 634 K C 0.054 176.780 176.600 0.210 0.000 1.082 634 K CA -0.778 55.603 56.287 0.156 0.000 0.929 634 K CB 0.816 33.357 32.500 0.068 0.000 1.353 634 K HN -0.077 nan 8.250 nan 0.000 0.536 635 I N 0.520 121.177 120.570 0.144 0.000 2.697 635 I HA 0.242 4.412 4.170 0.001 0.000 0.279 635 I C -0.207 175.918 176.117 0.014 0.000 1.171 635 I CA -0.841 60.535 61.300 0.126 0.000 1.135 635 I CB 0.725 38.786 38.000 0.102 0.000 1.445 635 I HN 0.463 nan 8.210 nan 0.000 0.541 636 A N 5.837 128.644 122.820 -0.022 0.000 2.567 636 A HA 0.105 4.426 4.320 0.001 0.000 0.263 636 A C -1.251 176.240 177.584 -0.156 0.000 1.030 636 A CA -0.153 51.818 52.037 -0.110 0.000 0.833 636 A CB -0.446 18.477 19.000 -0.129 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 1.892 179.024 177.300 -0.281 0.000 1.181 637 P CA 2.004 64.991 63.100 -0.188 0.000 0.929 637 P CB -0.098 31.496 31.700 -0.176 0.000 0.789 638 G N 0.433 108.902 108.800 -0.550 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 1.046 175.681 174.900 -0.442 0.000 1.245 638 G CA 1.887 46.373 45.100 -1.024 0.000 0.781 638 G HN 0.546 nan 8.290 nan 0.000 0.666 639 N N -0.173 118.314 118.700 -0.356 0.000 2.336 639 N HA 0.142 4.883 4.740 0.001 0.000 0.189 639 N C 0.101 175.603 175.510 -0.014 0.000 1.113 639 N CA 0.375 53.444 53.050 0.031 0.000 0.858 639 N CB 0.132 38.722 38.487 0.172 0.000 0.970 639 N HN 0.329 nan 8.380 nan 0.000 0.471 640 K N 0.078 120.432 120.400 -0.077 0.000 3.156 640 K HA -0.207 4.114 4.320 0.001 0.000 0.266 640 K C -0.792 175.813 176.600 0.007 0.000 0.966 640 K CA 0.321 56.587 56.287 -0.035 0.000 0.719 640 K CB -1.394 31.094 32.500 -0.020 0.000 1.333 640 K HN 0.539 nan 8.250 nan 0.000 0.468 641 A N 0.798 123.624 122.820 0.010 0.000 2.340 641 A HA 0.586 4.906 4.320 0.001 0.000 0.331 641 A C -1.247 176.400 177.584 0.105 0.000 1.140 641 A CA -0.553 51.514 52.037 0.050 0.000 0.801 641 A CB 0.681 19.696 19.000 0.024 0.000 1.234 641 A HN 0.325 nan 8.150 nan 0.000 0.469 642 Y N 2.656 122.950 120.300 -0.010 0.000 2.417 642 Y HA 0.589 5.140 4.550 0.000 0.000 0.336 642 Y C -0.725 175.174 175.900 -0.001 0.000 0.961 642 Y CA -0.724 57.383 58.100 0.013 0.000 1.215 642 Y CB 0.630 39.094 38.460 0.006 0.000 1.120 642 Y HN 0.493 nan 8.280 nan 0.000 0.499 643 I N 5.688 126.123 120.570 -0.225 0.000 2.354 643 I HA 0.235 4.406 4.170 0.001 0.000 0.286 643 I C -0.281 175.671 176.117 -0.276 0.000 1.007 643 I CA -0.762 60.381 61.300 -0.261 0.000 1.167 643 I CB 1.495 39.383 38.000 -0.187 0.000 1.320 643 I HN 0.534 nan 8.210 nan 0.000 0.458 644 E N 6.033 126.103 120.200 -0.218 0.000 2.354 644 E HA 0.194 4.545 4.350 0.001 0.000 0.269 644 E C -1.424 175.343 176.600 0.279 0.000 1.036 644 E CA -0.037 56.351 56.400 -0.020 0.000 0.876 644 E CB 1.271 31.006 29.700 0.058 0.000 1.009 644 E HN 0.481 nan 8.360 nan 0.000 0.416 645 W N 4.380 125.655 121.300 -0.042 0.000 3.544 645 W HA 0.100 4.761 4.660 0.001 0.000 0.326 645 W C -1.072 175.334 176.519 -0.189 0.000 1.137 645 W CA -0.752 56.508 57.345 -0.142 0.000 1.252 645 W CB 1.270 30.574 29.460 -0.260 0.000 1.302 645 W HN 0.559 nan 8.180 nan 0.000 0.467 646 T N 1.857 116.143 114.554 -0.446 0.000 2.822 646 T HA -0.057 4.293 4.350 0.001 0.000 0.288 646 T C -0.379 174.188 174.700 -0.223 0.000 0.991 646 T CA 0.470 62.381 62.100 -0.315 0.000 1.176 646 T CB 0.882 69.512 68.868 -0.396 0.000 0.951 646 T HN 0.298 nan 8.240 nan 0.000 0.526 647 D N 3.656 124.053 120.400 -0.004 0.000 2.453 647 D HA 0.357 4.997 4.640 0.001 0.000 0.238 647 D C -1.740 174.633 176.300 0.122 0.000 1.088 647 D CA -2.694 51.394 54.000 0.146 0.000 0.854 647 D CB 1.852 42.854 40.800 0.337 0.000 1.076 647 D HN 0.118 nan 8.370 nan 0.000 0.533 648 P HA -0.149 nan 4.420 nan 0.000 0.216 648 P C 1.679 179.040 177.300 0.102 0.000 1.154 648 P CA 1.047 64.198 63.100 0.085 0.000 0.865 648 P CB 0.301 32.056 31.700 0.092 0.000 0.789 649 I N -1.428 119.224 120.570 0.138 0.000 2.163 649 I HA -0.260 3.911 4.170 0.001 0.000 0.243 649 I C 2.012 178.195 176.117 0.109 0.000 1.085 649 I CA 1.812 63.185 61.300 0.121 0.000 1.347 649 I CB -1.311 36.769 38.000 0.133 0.000 1.044 649 I HN 0.021 nan 8.210 nan 0.000 0.408 650 T N 0.287 114.915 114.554 0.124 0.000 2.788 650 T HA -0.180 4.170 4.350 0.001 0.000 0.268 650 T C 1.875 176.628 174.700 0.088 0.000 1.044 650 T CA 1.242 63.410 62.100 0.113 0.000 1.139 650 T CB -0.153 68.793 68.868 0.130 0.000 0.867 650 T HN 0.118 nan 8.240 nan 0.000 0.454 651 K N 1.824 122.269 120.400 0.074 0.000 2.052 651 K HA -0.069 4.251 4.320 0.001 0.000 0.215 651 K C 2.033 178.664 176.600 0.052 0.000 1.053 651 K CA 1.695 58.014 56.287 0.053 0.000 0.934 651 K CB -0.619 31.905 32.500 0.040 0.000 0.717 651 K HN 0.322 nan 8.250 nan 0.000 0.450 652 A N -0.166 122.687 122.820 0.056 0.000 2.238 652 A HA -0.019 4.301 4.320 0.001 0.000 0.208 652 A C 1.808 179.420 177.584 0.048 0.000 1.177 652 A CA 0.976 53.043 52.037 0.049 0.000 0.804 652 A CB -0.378 18.654 19.000 0.054 0.000 0.823 652 A HN 0.351 nan 8.150 nan 0.000 0.482 653 K N 0.580 121.017 120.400 0.062 0.000 2.057 653 K HA -0.086 4.235 4.320 0.001 0.000 0.207 653 K C 1.536 178.158 176.600 0.037 0.000 1.049 653 K CA 1.661 57.986 56.287 0.064 0.000 0.931 653 K CB -0.357 32.203 32.500 0.100 0.000 0.714 653 K HN 0.478 nan 8.250 nan 0.000 0.440 654 I N 1.404 121.999 120.570 0.042 0.000 2.248 654 I HA -0.308 3.862 4.170 0.001 0.000 0.248 654 I C 0.856 176.947 176.117 -0.043 0.000 1.107 654 I CA 1.557 62.864 61.300 0.012 0.000 1.373 654 I CB -0.474 37.542 38.000 0.028 0.000 1.055 654 I HN 0.313 nan 8.210 nan 0.000 0.418 655 N N -0.157 118.526 118.700 -0.030 0.000 2.295 655 N HA 0.083 4.824 4.740 0.001 0.000 0.221 655 N C -0.475 174.996 175.510 -0.066 0.000 1.129 655 N CA -0.061 52.956 53.050 -0.054 0.000 0.836 655 N CB 0.522 38.993 38.487 -0.027 0.000 1.040 655 N HN 0.139 nan 8.380 nan 0.000 0.494 656 T N 0.945 115.459 114.554 -0.068 0.000 2.812 656 T HA 0.267 4.618 4.350 0.001 0.000 0.282 656 T C -0.052 174.570 174.700 -0.130 0.000 0.990 656 T CA -0.533 61.529 62.100 -0.064 0.000 0.960 656 T CB 1.976 70.857 68.868 0.021 0.000 0.948 656 T HN 0.094 nan 8.240 nan 0.000 0.438 657 I N 6.174 126.596 120.570 -0.248 0.000 2.710 657 I HA 0.190 4.360 4.170 0.001 0.000 0.286 657 I C -1.732 174.310 176.117 -0.125 0.000 1.181 657 I CA -1.906 59.195 61.300 -0.332 0.000 1.430 657 I CB 1.141 38.715 38.000 -0.709 0.000 1.367 657 I HN 0.377 nan 8.210 nan 0.000 0.577 658 P HA 0.124 nan 4.420 nan 0.000 0.274 658 P C -0.844 176.498 177.300 0.070 0.000 1.256 658 P CA -0.255 62.845 63.100 0.000 0.000 0.795 658 P CB 0.576 32.271 31.700 -0.008 0.000 1.038 659 T N -3.748 110.831 114.554 0.041 0.000 2.912 659 T HA 0.186 4.537 4.350 0.001 0.000 0.280 659 T C 1.466 176.232 174.700 0.110 0.000 0.989 659 T CA -0.282 61.830 62.100 0.020 0.000 0.995 659 T CB 0.641 69.406 68.868 -0.173 0.000 1.077 659 T HN 0.400 nan 8.240 nan 0.000 0.531 660 S N 0.646 116.416 115.700 0.117 0.000 2.359 660 S HA -0.199 4.271 4.470 0.001 0.000 0.222 660 S C 2.330 177.041 174.600 0.184 0.000 1.038 660 S CA 1.850 60.150 58.200 0.167 0.000 1.051 660 S CB -1.266 62.008 63.200 0.124 0.000 0.944 660 S HN 0.945 nan 8.310 nan 0.000 0.433 661 A N 0.963 123.839 122.820 0.093 0.000 1.877 661 A HA -0.086 4.235 4.320 0.001 0.000 0.216 661 A C 2.118 179.740 177.584 0.063 0.000 1.186 661 A CA 1.767 53.838 52.037 0.056 0.000 0.620 661 A CB -1.039 17.969 19.000 0.013 0.000 0.822 661 A HN 0.777 nan 8.150 nan 0.000 0.443 662 E N -1.589 118.652 120.200 0.069 0.000 2.267 662 E HA -0.209 4.142 4.350 0.001 0.000 0.197 662 E C 1.566 178.268 176.600 0.169 0.000 0.998 662 E CA 1.222 57.672 56.400 0.083 0.000 0.830 662 E CB -0.171 29.572 29.700 0.071 0.000 0.751 662 E HN 0.634 nan 8.360 nan 0.000 0.491 663 F N 0.879 120.856 119.950 0.045 0.000 2.123 663 F HA 0.028 4.555 4.527 0.000 0.000 0.289 663 F C 1.933 177.772 175.800 0.066 0.000 1.099 663 F CA 0.925 58.979 58.000 0.089 0.000 1.234 663 F CB -0.468 38.566 39.000 0.058 0.000 1.034 663 F HN -0.081 nan 8.300 nan 0.000 0.479 664 I N 0.277 120.760 120.570 -0.146 0.000 2.315 664 I HA -0.328 3.842 4.170 0.001 0.000 0.251 664 I C 2.228 178.211 176.117 -0.224 0.000 1.125 664 I CA 1.162 62.305 61.300 -0.261 0.000 1.392 664 I CB -0.498 37.462 38.000 -0.066 0.000 1.065 664 I HN 0.130 nan 8.210 nan 0.000 0.424 665 K N 1.450 121.770 120.400 -0.135 0.000 1.969 665 K HA -0.153 4.167 4.320 0.001 0.000 0.216 665 K C 1.610 178.080 176.600 -0.217 0.000 1.048 665 K CA 1.853 58.062 56.287 -0.130 0.000 0.948 665 K CB -0.668 31.791 32.500 -0.069 0.000 0.726 665 K HN 0.338 nan 8.250 nan 0.000 0.442 666 N N 0.159 118.711 118.700 -0.247 0.000 2.417 666 N HA -0.177 4.564 4.740 0.001 0.000 0.187 666 N C 1.483 176.606 175.510 -0.645 0.000 1.027 666 N CA 0.645 53.417 53.050 -0.465 0.000 0.891 666 N CB -0.091 38.047 38.487 -0.581 0.000 0.956 666 N HN 0.076 nan 8.380 nan 0.000 0.442 667 L N -0.210 120.703 121.223 -0.518 0.000 2.022 667 L HA -0.102 4.239 4.340 0.001 0.000 0.204 667 L C 2.613 179.314 176.870 -0.281 0.000 1.076 667 L CA 0.694 55.286 54.840 -0.413 0.000 0.749 667 L CB -0.845 41.030 42.059 -0.307 0.000 0.903 667 L HN 0.133 nan 8.230 nan 0.000 0.439 668 S N -0.211 115.357 115.700 -0.219 0.000 2.393 668 S HA -0.328 4.142 4.470 0.001 0.000 0.234 668 S C 2.288 176.785 174.600 -0.172 0.000 1.064 668 S CA 2.215 60.320 58.200 -0.158 0.000 1.088 668 S CB -0.421 62.699 63.200 -0.133 0.000 0.939 668 S HN 0.546 nan 8.310 nan 0.000 0.448 669 S N 1.427 116.994 115.700 -0.221 0.000 2.427 669 S HA -0.201 4.269 4.470 0.001 0.000 0.231 669 S C 1.815 176.281 174.600 -0.223 0.000 1.045 669 S CA 2.186 60.254 58.200 -0.221 0.000 1.154 669 S CB -1.138 61.896 63.200 -0.276 0.000 1.093 669 S HN 0.633 nan 8.310 nan 0.000 0.422 670 I N 1.479 121.852 120.570 -0.328 0.000 2.145 670 I HA -0.259 3.912 4.170 0.001 0.000 0.244 670 I C 2.966 179.008 176.117 -0.125 0.000 1.075 670 I CA 2.025 63.140 61.300 -0.308 0.000 1.332 670 I CB -0.732 36.878 38.000 -0.649 0.000 1.033 670 I HN 0.383 nan 8.210 nan 0.000 0.410 671 R N 0.973 121.435 120.500 -0.064 0.000 2.136 671 R HA -0.208 4.132 4.340 0.001 0.000 0.242 671 R C 2.181 178.456 176.300 -0.041 0.000 1.131 671 R CA 1.624 57.724 56.100 -0.001 0.000 0.937 671 R CB -0.231 30.046 30.300 -0.038 0.000 0.863 671 R HN 0.117 nan 8.270 nan 0.000 0.435 672 R N 0.161 120.618 120.500 -0.072 0.000 2.362 672 R HA 0.008 4.349 4.340 0.001 0.000 0.204 672 R C 0.862 177.122 176.300 -0.067 0.000 1.088 672 R CA 0.493 56.553 56.100 -0.067 0.000 1.121 672 R CB -0.344 29.910 30.300 -0.076 0.000 0.954 672 R HN 0.240 nan 8.270 nan 0.000 0.478 673 S N -1.612 114.050 115.700 -0.064 0.000 3.829 673 S HA 0.043 4.513 4.470 0.001 0.000 0.201 673 S C -0.038 174.540 174.600 -0.036 0.000 1.005 673 S CA 0.205 58.368 58.200 -0.061 0.000 0.935 673 S CB 0.087 63.233 63.200 -0.090 0.000 1.181 673 S HN 0.330 nan 8.310 nan 0.000 0.622 674 S N 2.579 118.267 115.700 -0.020 0.000 2.473 674 S HA 0.359 4.829 4.470 0.001 0.000 0.312 674 S C 0.480 175.092 174.600 0.020 0.000 1.087 674 S CA -0.513 57.693 58.200 0.009 0.000 1.077 674 S CB 0.102 63.327 63.200 0.043 0.000 1.065 674 S HN 0.431 nan 8.310 nan 0.000 0.510 675 N N 2.163 120.862 118.700 -0.001 0.000 2.471 675 N HA -0.168 4.572 4.740 0.001 0.000 0.198 675 N C 0.837 176.345 175.510 -0.003 0.000 1.016 675 N CA 1.329 54.375 53.050 -0.007 0.000 0.915 675 N CB -0.725 37.752 38.487 -0.016 0.000 0.948 675 N HN 0.917 nan 8.380 nan 0.000 0.453 676 V N 0.164 120.089 119.914 0.018 0.000 2.488 676 V HA 0.562 4.682 4.120 0.001 0.000 0.277 676 V C 1.110 177.196 176.094 -0.013 0.000 1.046 676 V CA -0.054 62.241 62.300 -0.009 0.000 0.986 676 V CB 0.836 32.651 31.823 -0.014 0.000 0.989 676 V HN 0.076 nan 8.190 nan 0.000 0.475 677 G N 2.321 111.039 108.800 -0.136 0.000 2.477 677 G HA2 0.490 4.450 3.960 0.001 0.000 0.304 677 G HA3 0.490 4.450 3.960 0.001 0.000 0.304 677 G C 0.947 175.503 174.900 -0.573 0.000 1.175 677 G CA 0.318 45.268 45.100 -0.250 0.000 0.907 677 G HN 1.348 nan 8.290 nan 0.000 0.509 678 V N -0.327 119.114 119.914 -0.788 0.000 2.250 678 V HA -0.143 3.977 4.120 0.001 0.000 0.253 678 V C 1.026 176.984 176.094 -0.226 0.000 1.065 678 V CA 1.935 63.880 62.300 -0.593 0.000 1.039 678 V CB -1.936 29.860 31.823 -0.046 0.000 0.647 678 V HN 0.772 nan 8.190 nan 0.000 0.446 679 Y N -0.327 119.888 120.300 -0.141 0.000 2.409 679 Y HA 0.782 5.333 4.550 0.001 0.000 0.343 679 Y C -0.372 175.488 175.900 -0.065 0.000 0.973 679 Y CA -2.384 55.667 58.100 -0.082 0.000 1.064 679 Y CB 1.317 39.751 38.460 -0.043 0.000 1.207 679 Y HN 0.058 nan 8.280 nan 0.000 0.452 680 K N 1.865 122.328 120.400 0.105 0.000 2.118 680 K HA 0.231 4.551 4.320 0.001 0.000 0.254 680 K C -1.168 175.529 176.600 0.163 0.000 0.961 680 K CA -0.776 55.543 56.287 0.053 0.000 0.876 680 K CB 1.069 33.577 32.500 0.013 0.000 1.077 680 K HN 0.900 nan 8.250 nan 0.000 0.440 681 D N 2.073 122.541 120.400 0.113 0.000 2.435 681 D HA 0.086 4.726 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 0.265 54.336 54.000 0.119 0.000 0.947 681 D CB 0.161 41.012 40.800 0.086 0.000 1.048 681 D HN 0.564 nan 8.370 nan 0.000 0.512 682 S N 0.813 116.563 115.700 0.084 0.000 3.144 682 S HA 0.688 5.159 4.470 0.001 0.000 0.325 682 S C 0.967 175.604 174.600 0.062 0.000 1.161 682 S CA -0.280 57.955 58.200 0.059 0.000 0.920 682 S CB 1.156 64.385 63.200 0.048 0.000 1.340 682 S HN 0.184 nan 8.310 nan 0.000 0.681 683 G N -0.717 108.110 108.800 0.044 0.000 2.944 683 G HA2 0.378 4.339 3.960 0.001 0.000 0.220 683 G HA3 0.378 4.339 3.960 0.001 0.000 0.220 683 G C 0.340 175.255 174.900 0.025 0.000 1.100 683 G CA 0.499 45.621 45.100 0.036 0.000 0.780 683 G HN 1.185 nan 8.290 nan 0.000 0.539 684 D N 1.687 122.103 120.400 0.027 0.000 2.479 684 D HA 0.196 4.836 4.640 0.001 0.000 0.257 684 D C 1.215 177.523 176.300 0.014 0.000 1.230 684 D CA -0.153 53.855 54.000 0.014 0.000 0.912 684 D CB 0.259 41.071 40.800 0.019 0.000 1.130 684 D HN 0.035 nan 8.370 nan 0.000 0.515 685 K N 1.447 121.829 120.400 -0.031 0.000 2.585 685 K HA -0.050 4.271 4.320 0.001 0.000 0.194 685 K C 0.568 177.142 176.600 -0.043 0.000 1.037 685 K CA 0.474 56.707 56.287 -0.090 0.000 0.964 685 K CB 0.242 32.648 32.500 -0.157 0.000 0.787 685 K HN 0.588 nan 8.250 nan 0.000 0.488 686 D N 0.102 120.504 120.400 0.004 0.000 2.240 686 D HA -0.075 4.565 4.640 0.001 0.000 0.206 686 D C 1.784 178.119 176.300 0.060 0.000 0.963 686 D CA 0.498 54.510 54.000 0.020 0.000 0.863 686 D CB 0.198 41.003 40.800 0.008 0.000 0.973 686 D HN 0.097 nan 8.370 nan 0.000 0.501 687 E N 0.634 120.883 120.200 0.081 0.000 2.007 687 E HA -0.110 4.240 4.350 0.001 0.000 0.194 687 E C 1.834 178.523 176.600 0.149 0.000 0.999 687 E CA 0.685 57.152 56.400 0.112 0.000 0.811 687 E CB -0.567 29.205 29.700 0.119 0.000 0.762 687 E HN 0.300 nan 8.360 nan 0.000 0.450 688 F N 0.491 120.412 119.950 -0.048 0.000 2.147 688 F HA -0.312 4.215 4.527 0.000 0.000 0.301 688 F C 1.953 177.700 175.800 -0.088 0.000 1.084 688 F CA 1.398 59.337 58.000 -0.101 0.000 1.268 688 F CB -0.158 38.796 39.000 -0.076 0.000 1.009 688 F HN 0.135 nan 8.300 nan 0.000 0.486 689 A N 0.817 123.858 122.820 0.368 0.000 1.859 689 A HA -0.278 4.043 4.320 0.001 0.000 0.217 689 A C 2.200 179.854 177.584 0.117 0.000 1.198 689 A CA 2.239 54.412 52.037 0.227 0.000 0.629 689 A CB -0.877 18.177 19.000 0.090 0.000 0.830 689 A HN 0.498 nan 8.150 nan 0.000 0.446 690 K N -0.491 119.954 120.400 0.075 0.000 2.009 690 K HA -0.207 4.113 4.320 0.001 0.000 0.210 690 K C 2.301 178.915 176.600 0.023 0.000 1.049 690 K CA 1.750 58.064 56.287 0.045 0.000 0.929 690 K CB -0.243 32.292 32.500 0.058 0.000 0.714 690 K HN 0.547 nan 8.250 nan 0.000 0.440 691 K N 1.455 121.803 120.400 -0.086 0.000 2.000 691 K HA -0.285 4.035 4.320 0.001 0.000 0.218 691 K C 2.114 178.560 176.600 -0.257 0.000 1.053 691 K CA 2.109 58.169 56.287 -0.379 0.000 0.946 691 K CB -0.141 31.774 32.500 -0.974 0.000 0.723 691 K HN -0.060 nan 8.250 nan 0.000 0.446 692 E N 0.414 120.435 120.200 -0.297 0.000 2.147 692 E HA -0.185 4.165 4.350 0.001 0.000 0.199 692 E C 1.917 178.468 176.600 -0.082 0.000 1.005 692 E CA 1.656 57.932 56.400 -0.207 0.000 0.810 692 E CB -0.334 29.322 29.700 -0.072 0.000 0.736 692 E HN 0.315 nan 8.360 nan 0.000 0.460 693 S N -1.405 114.274 115.700 -0.035 0.000 2.414 693 S HA -0.069 4.401 4.470 0.001 0.000 0.227 693 S C 1.900 176.497 174.600 -0.006 0.000 1.022 693 S CA 0.894 59.078 58.200 -0.026 0.000 0.958 693 S CB -0.174 63.017 63.200 -0.016 0.000 0.797 693 S HN 0.320 nan 8.310 nan 0.000 0.493 694 V N 0.061 120.023 119.914 0.081 0.000 2.488 694 V HA 0.137 4.257 4.120 0.001 0.000 0.246 694 V C 2.140 178.328 176.094 0.157 0.000 1.046 694 V CA 1.749 64.192 62.300 0.238 0.000 1.053 694 V CB -0.931 31.135 31.823 0.406 0.000 0.679 694 V HN 0.371 nan 8.190 nan 0.000 0.458 695 K N 0.358 120.792 120.400 0.057 0.000 2.286 695 K HA -0.205 4.115 4.320 0.001 0.000 0.203 695 K C 2.203 178.770 176.600 -0.055 0.000 1.045 695 K CA 1.718 58.012 56.287 0.012 0.000 0.935 695 K CB -0.120 32.343 32.500 -0.062 0.000 0.737 695 K HN 0.566 nan 8.250 nan 0.000 0.460 696 K N 0.009 120.333 120.400 -0.127 0.000 2.116 696 K HA -0.039 4.281 4.320 0.001 0.000 0.203 696 K C 2.031 178.302 176.600 -0.549 0.000 1.052 696 K CA 1.055 57.150 56.287 -0.320 0.000 0.952 696 K CB 0.014 32.321 32.500 -0.321 0.000 0.729 696 K HN 0.138 nan 8.250 nan 0.000 0.446 697 I N 1.103 121.468 120.570 -0.342 0.000 2.233 697 I HA -0.171 4.000 4.170 0.001 0.000 0.243 697 I C 1.898 177.869 176.117 -0.243 0.000 1.093 697 I CA 0.780 61.854 61.300 -0.376 0.000 1.380 697 I CB -0.228 37.584 38.000 -0.313 0.000 1.067 697 I HN 0.014 nan 8.210 nan 0.000 0.413 698 A N 0.516 123.319 122.820 -0.028 0.000 2.215 698 A HA 0.190 4.510 4.320 0.001 0.000 0.208 698 A C 1.780 179.397 177.584 0.055 0.000 1.296 698 A CA 1.184 53.294 52.037 0.123 0.000 0.918 698 A CB -1.218 17.956 19.000 0.290 0.000 0.806 698 A HN 0.530 nan 8.150 nan 0.000 0.490 699 G N -1.996 106.790 108.800 -0.023 0.000 2.849 699 G HA2 0.128 4.089 3.960 0.001 0.000 0.202 699 G HA3 0.128 4.089 3.960 0.001 0.000 0.202 699 G C 1.242 176.241 174.900 0.165 0.000 1.138 699 G CA 0.371 45.497 45.100 0.043 0.000 0.692 699 G HN 0.485 nan 8.290 nan 0.000 0.786 700 Y N 1.120 121.417 120.300 -0.006 0.000 2.053 700 Y HA -0.160 4.390 4.550 0.000 0.000 0.277 700 Y C 2.896 178.806 175.900 0.017 0.000 1.159 700 Y CA 0.722 58.811 58.100 -0.018 0.000 1.125 700 Y CB -0.343 38.071 38.460 -0.077 0.000 0.969 700 Y HN 0.022 nan 8.280 nan 0.000 0.492 701 L N -0.486 120.824 121.223 0.144 0.000 2.089 701 L HA -0.311 4.029 4.340 0.001 0.000 0.213 701 L C 2.742 179.752 176.870 0.233 0.000 1.079 701 L CA 1.552 56.460 54.840 0.113 0.000 0.758 701 L CB -0.668 41.390 42.059 -0.002 0.000 0.891 701 L HN 0.200 nan 8.230 nan 0.000 0.433 702 S N -0.508 115.305 115.700 0.188 0.000 2.383 702 S HA -0.173 4.297 4.470 0.001 0.000 0.227 702 S C 1.568 176.291 174.600 0.206 0.000 1.026 702 S CA 1.480 59.796 58.200 0.193 0.000 0.981 702 S CB -0.191 63.089 63.200 0.133 0.000 0.818 702 S HN 0.423 nan 8.310 nan 0.000 0.472 703 D N -0.194 120.315 120.400 0.182 0.000 2.183 703 D HA -0.041 4.599 4.640 0.001 0.000 0.203 703 D C 1.496 177.856 176.300 0.101 0.000 0.969 703 D CA 0.800 54.875 54.000 0.125 0.000 0.842 703 D CB -0.588 40.276 40.800 0.106 0.000 0.957 703 D HN 0.575 nan 8.370 nan 0.000 0.484 704 Y N 0.890 121.189 120.300 -0.002 0.000 2.081 704 Y HA -0.277 4.273 4.550 0.000 0.000 0.280 704 Y C 0.577 176.356 175.900 -0.200 0.000 1.163 704 Y CA 1.526 59.537 58.100 -0.149 0.000 1.135 704 Y CB -0.410 37.889 38.460 -0.268 0.000 0.970 704 Y HN -0.064 nan 8.280 nan 0.000 0.498 705 Y N 1.627 122.060 120.300 0.223 0.000 2.667 705 Y HA 0.141 4.691 4.550 0.000 0.000 0.340 705 Y C 0.077 175.998 175.900 0.034 0.000 1.303 705 Y CA -0.573 57.600 58.100 0.122 0.000 1.769 705 Y CB -0.681 37.876 38.460 0.162 0.000 1.804 705 Y HN 0.077 nan 8.280 nan 0.000 0.451 706 N N -0.001 118.729 118.700 0.050 0.000 2.430 706 N HA 0.126 4.866 4.740 0.001 0.000 0.292 706 N C 0.303 175.811 175.510 -0.002 0.000 1.051 706 N CA -0.079 52.979 53.050 0.013 0.000 0.917 706 N CB 1.711 40.163 38.487 -0.059 0.000 1.164 706 N HN 0.174 nan 8.380 nan 0.000 0.484 707 S N 1.609 117.324 115.700 0.026 0.000 2.593 707 S HA 0.128 4.598 4.470 0.001 0.000 0.217 707 S C 1.158 175.822 174.600 0.106 0.000 0.966 707 S CA 0.010 58.245 58.200 0.060 0.000 0.914 707 S CB 0.154 63.392 63.200 0.062 0.000 0.776 707 S HN 0.689 nan 8.310 nan 0.000 0.523 708 A N 1.263 124.051 122.820 -0.053 0.000 2.308 708 A HA 0.225 4.545 4.320 0.001 0.000 0.217 708 A C 1.369 178.645 177.584 -0.512 0.000 1.216 708 A CA -0.072 51.826 52.037 -0.232 0.000 0.864 708 A CB -0.397 18.460 19.000 -0.238 0.000 0.902 708 A HN 0.488 nan 8.150 nan 0.000 0.499 709 N N 0.270 118.751 118.700 -0.365 0.000 2.635 709 N HA -0.162 4.578 4.740 0.001 0.000 0.191 709 N C 1.452 176.781 175.510 -0.302 0.000 1.155 709 N CA 0.736 53.501 53.050 -0.475 0.000 0.927 709 N CB -0.144 38.206 38.487 -0.229 0.000 0.976 709 N HN 0.833 nan 8.380 nan 0.000 0.448 710 H N 0.628 119.576 119.070 -0.203 0.000 2.436 710 H HA -0.030 4.527 4.556 0.000 0.000 0.294 710 H C 1.900 177.218 175.328 -0.017 0.000 1.048 710 H CA 0.555 56.559 56.048 -0.073 0.000 1.353 710 H CB -0.470 29.266 29.762 -0.044 0.000 1.414 710 H HN 0.331 nan 8.280 nan 0.000 0.536 711 I N -2.056 118.189 120.570 -0.542 0.000 3.492 711 I HA 0.166 4.336 4.170 0.001 0.000 0.305 711 I C -0.248 176.055 176.117 0.310 0.000 1.256 711 I CA 0.229 61.428 61.300 -0.168 0.000 1.244 711 I CB -0.751 37.097 38.000 -0.254 0.000 1.001 711 I HN -0.044 nan 8.210 nan 0.000 0.536 712 F N 0.474 120.388 119.950 -0.060 0.000 2.631 712 F HA 0.545 5.072 4.527 0.000 0.000 0.350 712 F C 0.878 176.683 175.800 0.007 0.000 1.080 712 F CA -1.349 56.639 58.000 -0.021 0.000 1.026 712 F CB 1.754 40.742 39.000 -0.020 0.000 1.347 712 F HN 0.042 nan 8.300 nan 0.000 0.501 713 S N -0.215 115.605 115.700 0.199 0.000 2.718 713 S HA 0.254 4.724 4.470 0.001 0.000 0.300 713 S C 0.303 174.972 174.600 0.116 0.000 1.117 713 S CA -0.675 57.594 58.200 0.115 0.000 1.002 713 S CB 1.963 65.197 63.200 0.056 0.000 1.092 713 S HN 0.532 nan 8.310 nan 0.000 0.542 714 Q N 0.937 120.791 119.800 0.089 0.000 2.002 714 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 714 Q C 2.080 178.131 176.000 0.085 0.000 0.988 714 Q CA 2.352 58.207 55.803 0.087 0.000 0.843 714 Q CB -0.862 27.923 28.738 0.079 0.000 0.908 714 Q HN 0.974 nan 8.270 nan 0.000 0.420 715 E N 0.569 120.809 120.200 0.066 0.000 2.086 715 E HA -0.295 4.056 4.350 0.001 0.000 0.205 715 E C 1.814 178.454 176.600 0.067 0.000 1.027 715 E CA 2.264 58.697 56.400 0.055 0.000 0.830 715 E CB -0.239 29.476 29.700 0.025 0.000 0.751 715 E HN 0.260 nan 8.360 nan 0.000 0.456 716 K N 0.164 120.599 120.400 0.058 0.000 2.025 716 K HA -0.146 4.175 4.320 0.001 0.000 0.207 716 K C 2.089 178.780 176.600 0.151 0.000 1.049 716 K CA 1.670 57.996 56.287 0.064 0.000 0.933 716 K CB -0.054 32.408 32.500 -0.062 0.000 0.714 716 K HN 0.045 nan 8.250 nan 0.000 0.438 717 K N 0.419 120.922 120.400 0.172 0.000 2.015 717 K HA -0.258 4.063 4.320 0.001 0.000 0.220 717 K C 2.138 178.788 176.600 0.084 0.000 1.055 717 K CA 2.397 58.768 56.287 0.140 0.000 0.951 717 K CB -0.328 32.224 32.500 0.086 0.000 0.725 717 K HN 0.228 nan 8.250 nan 0.000 0.449 718 R N 1.304 121.857 120.500 0.088 0.000 2.096 718 R HA -0.176 4.164 4.340 0.001 0.000 0.240 718 R C 2.328 178.738 176.300 0.183 0.000 1.139 718 R CA 1.642 57.802 56.100 0.101 0.000 0.952 718 R CB -0.434 29.936 30.300 0.116 0.000 0.854 718 R HN 0.246 nan 8.270 nan 0.000 0.436 719 K N 0.791 121.330 120.400 0.233 0.000 1.963 719 K HA -0.140 4.180 4.320 0.001 0.000 0.216 719 K C 2.154 179.009 176.600 0.424 0.000 1.045 719 K CA 1.397 57.931 56.287 0.411 0.000 0.954 719 K CB -0.483 32.215 32.500 0.331 0.000 0.732 719 K HN -0.001 nan 8.250 nan 0.000 0.442 720 I N 1.504 122.270 120.570 0.327 0.000 2.290 720 I HA -0.367 3.803 4.170 0.001 0.000 0.253 720 I C 1.838 178.008 176.117 0.089 0.000 1.112 720 I CA 1.638 63.068 61.300 0.217 0.000 1.377 720 I CB -0.034 38.114 38.000 0.246 0.000 1.060 720 I HN 0.095 nan 8.210 nan 0.000 0.428 721 S N -0.001 115.719 115.700 0.034 0.000 2.356 721 S HA 0.062 4.533 4.470 0.001 0.000 0.219 721 S C 1.962 176.593 174.600 0.052 0.000 1.036 721 S CA 1.160 59.276 58.200 -0.140 0.000 0.965 721 S CB -0.300 62.673 63.200 -0.377 0.000 0.864 721 S HN 0.441 nan 8.310 nan 0.000 0.471 722 I N 0.852 121.511 120.570 0.149 0.000 2.236 722 I HA -0.249 3.921 4.170 0.001 0.000 0.249 722 I C 2.100 178.250 176.117 0.054 0.000 1.102 722 I CA 1.381 62.794 61.300 0.188 0.000 1.365 722 I CB -0.279 37.935 38.000 0.357 0.000 1.051 722 I HN 0.207 nan 8.210 nan 0.000 0.420 723 F N 1.763 121.595 119.950 -0.196 0.000 2.039 723 F HA -0.174 4.353 4.527 0.000 0.000 0.294 723 F C 2.724 178.383 175.800 -0.235 0.000 1.130 723 F CA 1.548 59.306 58.000 -0.403 0.000 1.189 723 F CB -0.422 38.277 39.000 -0.502 0.000 0.983 723 F HN -0.124 nan 8.300 nan 0.000 0.471 724 R N 0.299 120.712 120.500 -0.145 0.000 2.140 724 R HA -0.216 4.125 4.340 0.001 0.000 0.250 724 R C 2.402 178.603 176.300 -0.165 0.000 1.150 724 R CA 1.410 57.394 56.100 -0.193 0.000 0.966 724 R CB -1.811 28.466 30.300 -0.038 0.000 0.869 724 R HN 0.513 nan 8.270 nan 0.000 0.445 725 G N 1.423 110.212 108.800 -0.019 0.000 2.459 725 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 725 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 725 G C 1.609 176.430 174.900 -0.131 0.000 1.183 725 G CA 0.728 45.810 45.100 -0.029 0.000 0.776 725 G HN 0.222 nan 8.290 nan 0.000 0.552 726 I N 0.440 120.894 120.570 -0.194 0.000 2.208 726 I HA -0.268 3.902 4.170 0.001 0.000 0.245 726 I C 3.069 178.973 176.117 -0.356 0.000 1.097 726 I CA 1.270 62.447 61.300 -0.204 0.000 1.363 726 I CB -0.376 37.491 38.000 -0.221 0.000 1.051 726 I HN 0.266 nan 8.210 nan 0.000 0.413 727 Q N 0.674 120.123 119.800 -0.585 0.000 2.029 727 Q HA -0.303 4.037 4.340 0.001 0.000 0.209 727 Q C 2.483 178.406 176.000 -0.129 0.000 0.999 727 Q CA 2.253 57.650 55.803 -0.678 0.000 0.857 727 Q CB -0.452 27.575 28.738 -1.186 0.000 0.926 727 Q HN 0.635 nan 8.270 nan 0.000 0.415 728 A N 0.588 123.469 122.820 0.101 0.000 1.851 728 A HA -0.259 4.061 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 1.727 53.893 52.037 0.216 0.000 0.622 728 A CB -1.336 17.689 19.000 0.041 0.000 0.831 728 A HN 0.527 nan 8.150 nan 0.000 0.444 729 Y N 1.420 121.609 120.300 -0.185 0.000 2.132 729 Y HA -0.337 4.214 4.550 0.000 0.000 0.280 729 Y C 2.427 178.196 175.900 -0.219 0.000 1.193 729 Y CA 2.374 60.345 58.100 -0.215 0.000 1.157 729 Y CB -0.280 38.045 38.460 -0.225 0.000 0.966 729 Y HN 0.524 nan 8.280 nan 0.000 0.511 730 N N 0.181 118.802 118.700 -0.131 0.000 2.022 730 N HA -0.235 4.505 4.740 0.001 0.000 0.194 730 N C 1.768 177.194 175.510 -0.140 0.000 1.057 730 N CA 1.744 54.687 53.050 -0.179 0.000 0.849 730 N CB -0.426 37.727 38.487 -0.558 0.000 1.044 730 N HN 0.377 nan 8.380 nan 0.000 0.424 731 E N 0.587 120.734 120.200 -0.088 0.000 2.333 731 E HA -0.149 4.201 4.350 0.001 0.000 0.200 731 E C 1.913 178.435 176.600 -0.130 0.000 1.010 731 E CA 0.421 56.770 56.400 -0.083 0.000 0.841 731 E CB -0.083 29.548 29.700 -0.116 0.000 0.757 731 E HN 0.501 nan 8.360 nan 0.000 0.508 732 I N -0.140 120.325 120.570 -0.174 0.000 2.400 732 I HA -0.142 4.028 4.170 0.001 0.000 0.248 732 I C 2.318 178.290 176.117 -0.242 0.000 1.109 732 I CA 0.697 61.887 61.300 -0.183 0.000 1.425 732 I CB -1.078 36.804 38.000 -0.197 0.000 1.094 732 I HN 0.050 nan 8.210 nan 0.000 0.425 733 E N 1.629 121.659 120.200 -0.282 0.000 2.118 733 E HA -0.262 4.088 4.350 0.001 0.000 0.195 733 E C 1.900 178.437 176.600 -0.106 0.000 0.992 733 E CA 1.697 57.985 56.400 -0.187 0.000 0.804 733 E CB -0.249 29.399 29.700 -0.087 0.000 0.741 733 E HN 0.437 nan 8.360 nan 0.000 0.458 734 N N -0.866 117.779 118.700 -0.092 0.000 2.043 734 N HA -0.166 4.574 4.740 0.001 0.000 0.193 734 N C 1.512 176.962 175.510 -0.100 0.000 1.037 734 N CA 2.153 55.166 53.050 -0.063 0.000 0.851 734 N CB -0.098 38.361 38.487 -0.046 0.000 1.027 734 N HN 0.080 nan 8.380 nan 0.000 0.422 735 V N 0.242 120.054 119.914 -0.170 0.000 2.719 735 V HA -0.039 4.081 4.120 0.001 0.000 0.252 735 V C 2.068 177.994 176.094 -0.279 0.000 1.065 735 V CA 0.754 62.913 62.300 -0.236 0.000 1.086 735 V CB -0.477 31.133 31.823 -0.355 0.000 0.700 735 V HN 0.342 nan 8.190 nan 0.000 0.467 736 L N -0.030 121.031 121.223 -0.270 0.000 2.275 736 L HA 0.020 4.360 4.340 0.001 0.000 0.215 736 L C 1.582 178.393 176.870 -0.099 0.000 1.119 736 L CA 1.700 56.426 54.840 -0.190 0.000 0.790 736 L CB -0.327 41.653 42.059 -0.131 0.000 0.919 736 L HN 0.103 nan 8.230 nan 0.000 0.443 737 K N -0.580 119.768 120.400 -0.087 0.000 3.095 737 K HA 0.292 4.612 4.320 0.001 0.000 0.220 737 K C 0.165 176.737 176.600 -0.047 0.000 1.216 737 K CA 0.009 56.270 56.287 -0.044 0.000 1.167 737 K CB 0.487 32.974 32.500 -0.021 0.000 1.199 737 K HN 0.156 nan 8.250 nan 0.000 0.458 738 S N 0.050 115.712 115.700 -0.064 0.000 2.816 738 S HA 0.360 4.830 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 -0.382 57.787 58.200 -0.051 0.000 1.032 738 S CB 1.241 64.397 63.200 -0.073 0.000 1.270 738 S HN 0.310 nan 8.310 nan 0.000 0.587 739 K N 0.052 120.434 120.400 -0.029 0.000 2.959 739 K HA 0.250 4.570 4.320 0.001 0.000 0.336 739 K C -0.445 176.144 176.600 -0.019 0.000 0.984 739 K CA -0.190 56.086 56.287 -0.018 0.000 1.325 739 K CB -0.203 32.290 32.500 -0.012 0.000 1.390 739 K HN 0.346 nan 8.250 nan 0.000 0.615 740 Q N 2.144 121.935 119.800 -0.014 0.000 2.837 740 Q HA 0.156 4.496 4.340 0.001 0.000 0.235 740 Q C -0.610 175.377 176.000 -0.022 0.000 1.348 740 Q CA 0.194 55.990 55.803 -0.011 0.000 0.990 740 Q CB -0.813 27.921 28.738 -0.006 0.000 1.570 740 Q HN 0.350 nan 8.270 nan 0.000 0.575 741 I N -1.236 119.320 120.570 -0.024 0.000 2.322 741 I HA 0.442 4.612 4.170 0.001 0.000 0.292 741 I C 0.554 176.684 176.117 0.021 0.000 1.060 741 I CA -1.033 60.245 61.300 -0.038 0.000 1.309 741 I CB 0.662 38.634 38.000 -0.046 0.000 1.415 741 I HN 0.198 nan 8.210 nan 0.000 0.492 742 A N 9.075 131.897 122.820 0.003 0.000 2.622 742 A HA 0.012 4.332 4.320 0.001 0.000 0.235 742 A C -0.903 176.778 177.584 0.162 0.000 1.013 742 A CA -0.407 51.680 52.037 0.083 0.000 0.765 742 A CB -0.519 18.552 19.000 0.118 0.000 0.921 742 A HN 0.803 nan 8.150 nan 0.000 0.506 743 P HA -0.194 nan 4.420 nan 0.000 0.225 743 P C 0.916 178.314 177.300 0.164 0.000 1.148 743 P CA 1.511 64.688 63.100 0.128 0.000 0.779 743 P CB 0.103 31.852 31.700 0.083 0.000 0.780 744 E N -0.131 120.180 120.200 0.185 0.000 2.047 744 E HA -0.203 4.148 4.350 0.001 0.000 0.191 744 E C 2.025 178.739 176.600 0.190 0.000 0.987 744 E CA 1.273 57.758 56.400 0.142 0.000 0.799 744 E CB -1.447 28.311 29.700 0.097 0.000 0.752 744 E HN 0.283 nan 8.360 nan 0.000 0.449 745 Y N 2.006 122.404 120.300 0.165 0.000 2.242 745 Y HA -0.090 4.460 4.550 0.000 0.000 0.291 745 Y C 2.607 178.789 175.900 0.470 0.000 1.137 745 Y CA 1.175 59.471 58.100 0.327 0.000 1.181 745 Y CB -0.331 38.359 38.460 0.383 0.000 0.989 745 Y HN -0.001 nan 8.280 nan 0.000 0.527 746 K N 1.062 121.740 120.400 0.464 0.000 2.034 746 K HA -0.280 4.040 4.320 0.001 0.000 0.214 746 K C 1.424 178.211 176.600 0.313 0.000 1.051 746 K CA 2.260 58.746 56.287 0.332 0.000 0.931 746 K CB -0.603 32.009 32.500 0.188 0.000 0.715 746 K HN 0.526 nan 8.250 nan 0.000 0.446 747 N N -0.664 118.183 118.700 0.246 0.000 2.069 747 N HA -0.221 4.519 4.740 0.001 0.000 0.191 747 N C 1.937 177.599 175.510 0.253 0.000 1.031 747 N CA 1.401 54.568 53.050 0.195 0.000 0.852 747 N CB -0.363 38.202 38.487 0.129 0.000 1.018 747 N HN 0.202 nan 8.380 nan 0.000 0.423 748 Y N 1.588 121.951 120.300 0.105 0.000 1.993 748 Y HA -0.292 4.258 4.550 0.000 0.000 0.267 748 Y C 1.913 177.889 175.900 0.126 0.000 1.155 748 Y CA 1.549 59.686 58.100 0.061 0.000 1.105 748 Y CB -1.019 37.354 38.460 -0.144 0.000 0.960 748 Y HN -0.020 nan 8.280 nan 0.000 0.486 749 F N 0.595 120.574 119.950 0.049 0.000 2.184 749 F HA -0.341 4.186 4.527 0.000 0.000 0.301 749 F C 2.475 178.207 175.800 -0.113 0.000 1.076 749 F CA 1.911 59.844 58.000 -0.113 0.000 1.295 749 F CB -0.619 38.386 39.000 0.009 0.000 1.026 749 F HN 0.219 nan 8.300 nan 0.000 0.494 750 Q N -0.887 119.013 119.800 0.167 0.000 2.124 750 Q HA -0.228 4.112 4.340 0.001 0.000 0.202 750 Q C 2.089 178.127 176.000 0.064 0.000 0.977 750 Q CA 1.615 57.480 55.803 0.103 0.000 0.850 750 Q CB -1.111 27.705 28.738 0.131 0.000 0.901 750 Q HN 0.592 nan 8.270 nan 0.000 0.429 751 Y N 1.499 121.769 120.300 -0.051 0.000 2.109 751 Y HA -0.176 4.374 4.550 0.000 0.000 0.285 751 Y C 2.114 177.924 175.900 -0.151 0.000 1.131 751 Y CA 1.277 59.333 58.100 -0.073 0.000 1.121 751 Y CB -0.651 37.789 38.460 -0.032 0.000 0.987 751 Y HN -0.028 nan 8.280 nan 0.000 0.495 752 L N 0.466 121.351 121.223 -0.563 0.000 2.021 752 L HA -0.342 3.998 4.340 0.001 0.000 0.215 752 L C 2.543 179.176 176.870 -0.395 0.000 1.074 752 L CA 2.197 56.659 54.840 -0.629 0.000 0.760 752 L CB -0.778 40.913 42.059 -0.612 0.000 0.889 752 L HN 0.218 nan 8.230 nan 0.000 0.433 753 K N -0.025 120.227 120.400 -0.247 0.000 2.034 753 K HA -0.304 4.016 4.320 0.001 0.000 0.214 753 K C 2.069 178.634 176.600 -0.058 0.000 1.051 753 K CA 2.210 58.431 56.287 -0.110 0.000 0.931 753 K CB -0.268 32.177 32.500 -0.091 0.000 0.715 753 K HN 0.310 nan 8.250 nan 0.000 0.446 754 E N 0.551 120.682 120.200 -0.114 0.000 2.097 754 E HA -0.233 4.117 4.350 0.001 0.000 0.196 754 E C 2.043 178.511 176.600 -0.220 0.000 1.000 754 E CA 1.131 57.455 56.400 -0.127 0.000 0.804 754 E CB 0.198 29.851 29.700 -0.078 0.000 0.740 754 E HN 0.155 nan 8.360 nan 0.000 0.454 755 R N 0.462 120.773 120.500 -0.314 0.000 2.096 755 R HA -0.176 4.164 4.340 0.001 0.000 0.229 755 R C 2.467 178.587 176.300 -0.300 0.000 1.134 755 R CA 1.588 57.501 56.100 -0.312 0.000 0.917 755 R CB -1.045 29.016 30.300 -0.397 0.000 0.832 755 R HN 0.335 nan 8.270 nan 0.000 0.430 756 I N 1.108 121.490 120.570 -0.312 0.000 2.121 756 I HA -0.359 3.811 4.170 0.001 0.000 0.243 756 I C 2.323 178.137 176.117 -0.504 0.000 1.047 756 I CA 2.051 63.149 61.300 -0.337 0.000 1.308 756 I CB -1.780 36.099 38.000 -0.202 0.000 1.015 756 I HN 0.253 nan 8.210 nan 0.000 0.410 757 T N 1.753 115.934 114.554 -0.622 0.000 2.580 757 T HA -0.189 4.162 4.350 0.001 0.000 0.265 757 T C 1.737 176.130 174.700 -0.512 0.000 1.063 757 T CA 1.881 63.422 62.100 -0.933 0.000 1.170 757 T CB -0.459 68.048 68.868 -0.603 0.000 0.863 757 T HN 0.338 nan 8.240 nan 0.000 0.418 758 N N 0.932 119.450 118.700 -0.304 0.000 2.061 758 N HA -0.169 4.572 4.740 0.001 0.000 0.193 758 N C 2.052 177.461 175.510 -0.168 0.000 1.030 758 N CA 1.572 54.514 53.050 -0.181 0.000 0.856 758 N CB -0.542 37.866 38.487 -0.131 0.000 1.023 758 N HN 0.425 nan 8.380 nan 0.000 0.424 759 Q N 1.250 120.927 119.800 -0.205 0.000 1.975 759 Q HA -0.078 4.263 4.340 0.001 0.000 0.205 759 Q C 2.028 177.959 176.000 -0.116 0.000 0.990 759 Q CA 1.663 57.370 55.803 -0.160 0.000 0.845 759 Q CB -0.446 28.158 28.738 -0.223 0.000 0.913 759 Q HN 0.148 nan 8.270 nan 0.000 0.420 760 V N 0.731 120.544 119.914 -0.168 0.000 2.380 760 V HA -0.292 3.828 4.120 0.001 0.000 0.251 760 V C 2.406 178.503 176.094 0.006 0.000 1.063 760 V CA 2.072 64.338 62.300 -0.057 0.000 1.055 760 V CB -0.853 30.919 31.823 -0.085 0.000 0.657 760 V HN 0.429 nan 8.190 nan 0.000 0.455 761 Q N 0.126 119.895 119.800 -0.052 0.000 2.020 761 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 761 Q C 2.074 178.096 176.000 0.037 0.000 0.982 761 Q CA 2.156 57.971 55.803 0.020 0.000 0.838 761 Q CB -0.705 28.028 28.738 -0.008 0.000 0.899 761 Q HN 0.593 nan 8.270 nan 0.000 0.423 762 L N -0.350 120.872 121.223 -0.000 0.000 2.043 762 L HA -0.153 4.188 4.340 0.001 0.000 0.212 762 L C 1.917 178.776 176.870 -0.018 0.000 1.075 762 L CA 1.771 56.610 54.840 -0.002 0.000 0.752 762 L CB -0.485 41.544 42.059 -0.051 0.000 0.891 762 L HN 0.360 nan 8.230 nan 0.000 0.432 763 L N -1.335 119.884 121.223 -0.006 0.000 2.275 763 L HA -0.170 4.171 4.340 0.001 0.000 0.215 763 L C 2.393 179.327 176.870 0.108 0.000 1.119 763 L CA 0.812 55.664 54.840 0.021 0.000 0.790 763 L CB -0.350 41.752 42.059 0.071 0.000 0.919 763 L HN 0.389 nan 8.230 nan 0.000 0.443 764 L N -0.706 120.590 121.223 0.122 0.000 2.034 764 L HA -0.145 4.195 4.340 0.001 0.000 0.203 764 L C 2.801 179.755 176.870 0.140 0.000 1.074 764 L CA 1.711 56.633 54.840 0.136 0.000 0.748 764 L CB -0.960 41.179 42.059 0.134 0.000 0.905 764 L HN 0.368 nan 8.230 nan 0.000 0.439 765 T N -3.636 111.005 114.554 0.146 0.000 2.802 765 T HA -0.296 4.054 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 1.698 63.889 62.100 0.153 0.000 1.133 765 T CB -0.641 68.325 68.868 0.163 0.000 0.852 765 T HN 0.297 nan 8.240 nan 0.000 0.485 766 H N 0.377 119.474 119.070 0.045 0.000 2.524 766 H HA 0.262 4.818 4.556 0.001 0.000 0.282 766 H C 2.263 177.612 175.328 0.035 0.000 1.016 766 H CA 1.091 57.163 56.048 0.040 0.000 1.270 766 H CB -0.022 29.767 29.762 0.046 0.000 1.394 766 H HN 0.596 nan 8.280 nan 0.000 0.568 767 Q N -0.629 119.248 119.800 0.128 0.000 2.453 767 Q HA 0.163 4.504 4.340 0.001 0.000 0.192 767 Q C -0.328 175.694 176.000 0.036 0.000 0.965 767 Q CA -0.120 55.725 55.803 0.070 0.000 0.836 767 Q CB 0.889 29.671 28.738 0.073 0.000 1.069 767 Q HN -0.026 nan 8.270 nan 0.000 0.594 768 K N 0.674 121.094 120.400 0.033 0.000 2.292 768 K HA 0.284 4.604 4.320 0.001 0.000 0.257 768 K C -0.984 175.635 176.600 0.032 0.000 0.940 768 K CA -0.164 56.132 56.287 0.016 0.000 0.811 768 K CB 1.916 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 2.155 117.873 115.700 0.029 0.000 2.751 769 S HA 0.098 4.569 4.470 0.001 0.000 0.247 769 S C 0.285 174.907 174.600 0.036 0.000 1.103 769 S CA -0.373 57.852 58.200 0.041 0.000 1.090 769 S CB -0.378 62.849 63.200 0.045 0.000 0.928 769 S HN 0.660 nan 8.310 nan 0.000 0.502 770 N N 0.743 119.459 118.700 0.027 0.000 2.254 770 N HA 0.158 4.899 4.740 0.001 0.000 0.190 770 N C -0.243 175.286 175.510 0.032 0.000 1.107 770 N CA -0.099 52.965 53.050 0.024 0.000 0.869 770 N CB 0.249 38.744 38.487 0.013 0.000 0.983 770 N HN 0.356 nan 8.380 nan 0.000 0.487 771 I N 2.229 122.822 120.570 0.040 0.000 2.416 771 I HA 0.168 4.338 4.170 0.001 0.000 0.288 771 I C 0.018 176.182 176.117 0.079 0.000 1.051 771 I CA 0.107 61.439 61.300 0.053 0.000 1.375 771 I CB 1.025 39.058 38.000 0.055 0.000 1.407 771 I HN 0.037 nan 8.210 nan 0.000 0.516 772 E N 4.288 124.535 120.200 0.078 0.000 2.166 772 E HA 0.150 4.501 4.350 0.001 0.000 0.275 772 E C 0.415 177.092 176.600 0.128 0.000 0.941 772 E CA -0.571 55.892 56.400 0.105 0.000 0.784 772 E CB 1.679 31.428 29.700 0.081 0.000 1.115 772 E HN 0.438 nan 8.360 nan 0.000 0.399 773 F N 4.568 124.530 119.950 0.019 0.000 2.063 773 F HA -0.383 4.144 4.527 0.000 0.000 0.297 773 F C 2.184 177.998 175.800 0.023 0.000 1.099 773 F CA 2.337 60.330 58.000 -0.011 0.000 1.220 773 F CB -0.033 38.901 39.000 -0.110 0.000 0.972 773 F HN 0.474 nan 8.300 nan 0.000 0.487 774 K N 0.277 120.657 120.400 -0.034 0.000 2.032 774 K HA -0.253 4.068 4.320 0.001 0.000 0.218 774 K C 2.187 178.742 176.600 -0.075 0.000 1.054 774 K CA 2.427 58.669 56.287 -0.074 0.000 0.941 774 K CB -0.627 31.907 32.500 0.057 0.000 0.720 774 K HN 0.464 nan 8.250 nan 0.000 0.449 775 L N 0.798 122.010 121.223 -0.019 0.000 1.932 775 L HA -0.257 4.084 4.340 0.001 0.000 0.217 775 L C 2.595 179.456 176.870 -0.014 0.000 1.077 775 L CA 1.565 56.402 54.840 -0.006 0.000 0.765 775 L CB -0.714 41.353 42.059 0.014 0.000 0.888 775 L HN 0.410 nan 8.230 nan 0.000 0.433 776 L N -1.227 120.002 121.223 0.009 0.000 2.119 776 L HA -0.396 3.945 4.340 0.001 0.000 0.226 776 L C 2.696 179.616 176.870 0.083 0.000 1.093 776 L CA 1.991 56.871 54.840 0.066 0.000 0.806 776 L CB -0.499 41.638 42.059 0.130 0.000 0.902 776 L HN 0.323 nan 8.230 nan 0.000 0.444 777 Y N 0.833 120.985 120.300 -0.246 0.000 2.097 777 Y HA -0.300 4.250 4.550 0.000 0.000 0.282 777 Y C 2.589 178.465 175.900 -0.041 0.000 1.152 777 Y CA 1.772 59.732 58.100 -0.232 0.000 1.136 777 Y CB -0.448 37.656 38.460 -0.593 0.000 0.975 777 Y HN 0.127 nan 8.280 nan 0.000 0.498 778 K N 0.393 120.710 120.400 -0.139 0.000 2.030 778 K HA -0.312 4.009 4.320 0.001 0.000 0.222 778 K C 1.841 178.365 176.600 -0.128 0.000 1.056 778 K CA 2.376 58.562 56.287 -0.169 0.000 0.957 778 K CB -1.004 31.454 32.500 -0.071 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 4.214 4.340 0.001 0.000 0.219 779 Q C -0.036 175.949 176.000 -0.026 0.000 0.984 779 Q CA 0.422 56.211 55.803 -0.024 0.000 0.911 779 Q CB -0.194 28.551 28.738 0.011 0.000 0.962 779 Q HN 0.066 nan 8.270 nan 0.000 0.532 780 L N 0.101 121.295 121.223 -0.050 0.000 2.352 780 L HA 0.280 4.621 4.340 0.001 0.000 0.269 780 L C -0.046 176.694 176.870 -0.217 0.000 1.034 780 L CA -0.255 54.518 54.840 -0.111 0.000 0.806 780 L CB 1.333 43.380 42.059 -0.020 0.000 1.244 780 L HN -0.035 nan 8.230 nan 0.000 0.447 781 N N 0.837 119.322 118.700 -0.359 0.000 2.576 781 N HA 0.287 5.028 4.740 0.001 0.000 0.269 781 N C -1.326 173.979 175.510 -0.342 0.000 1.058 781 N CA -0.316 52.588 53.050 -0.243 0.000 0.860 781 N CB 0.579 38.989 38.487 -0.128 0.000 1.249 781 N HN 0.372 nan 8.380 nan 0.000 0.525 782 F N 2.348 122.324 119.950 0.043 0.000 2.899 782 F HA 0.273 4.801 4.527 0.000 0.000 0.308 782 F C 1.540 177.376 175.800 0.059 0.000 1.221 782 F CA -0.360 57.684 58.000 0.073 0.000 1.265 782 F CB 0.593 39.650 39.000 0.095 0.000 1.253 782 F HN 0.354 nan 8.300 nan 0.000 0.534 783 T N -0.059 114.573 114.554 0.129 0.000 2.925 783 T HA -0.070 4.280 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 1.356 63.514 62.100 0.097 0.000 1.419 783 T CB 0.018 68.916 68.868 0.050 0.000 1.094 783 T HN 0.501 nan 8.240 nan 0.000 0.423 784 E N 1.444 121.683 120.200 0.065 0.000 2.207 784 E HA 0.059 4.410 4.350 0.001 0.000 0.197 784 E C 0.190 176.829 176.600 0.065 0.000 0.914 784 E CA -0.129 56.308 56.400 0.062 0.000 0.914 784 E CB -0.263 29.463 29.700 0.043 0.000 0.893 784 E HN 0.482 nan 8.360 nan 0.000 0.479 785 N N 1.153 119.882 118.700 0.047 0.000 2.426 785 N HA 0.085 4.826 4.740 0.001 0.000 0.257 785 N C 0.022 175.557 175.510 0.043 0.000 1.002 785 N CA -0.438 52.639 53.050 0.044 0.000 0.942 785 N CB 1.849 40.351 38.487 0.026 0.000 1.112 785 N HN 0.045 nan 8.380 nan 0.000 0.499 786 E N 2.046 122.292 120.200 0.077 0.000 2.340 786 E HA -0.086 4.264 4.350 0.001 0.000 0.194 786 E C 1.062 177.716 176.600 0.089 0.000 0.996 786 E CA 0.889 57.350 56.400 0.102 0.000 0.869 786 E CB -0.178 29.630 29.700 0.179 0.000 0.835 786 E HN 0.776 nan 8.360 nan 0.000 0.493 787 T N 0.670 115.265 114.554 0.069 0.000 2.210 787 T HA -0.347 4.003 4.350 0.001 0.000 0.204 787 T C 1.663 176.392 174.700 0.049 0.000 1.651 787 T CA 1.866 64.001 62.100 0.058 0.000 1.240 787 T CB -1.336 67.556 68.868 0.040 0.000 0.866 787 T HN 0.390 nan 8.240 nan 0.000 0.385 788 D N 1.497 121.909 120.400 0.020 0.000 2.280 788 D HA -0.238 4.403 4.640 0.001 0.000 0.206 788 D C 1.912 178.207 176.300 -0.009 0.000 0.988 788 D CA 1.406 55.404 54.000 -0.004 0.000 0.886 788 D CB -0.873 39.918 40.800 -0.016 0.000 0.914 788 D HN 0.501 nan 8.370 nan 0.000 0.473 789 N N 0.284 118.987 118.700 0.005 0.000 2.094 789 N HA -0.229 4.512 4.740 0.001 0.000 0.191 789 N C 1.569 177.106 175.510 0.044 0.000 1.023 789 N CA 0.928 53.978 53.050 -0.000 0.000 0.857 789 N CB -0.628 37.838 38.487 -0.035 0.000 1.013 789 N HN 0.239 nan 8.380 nan 0.000 0.426 790 F N 2.066 121.878 119.950 -0.229 0.000 2.234 790 F HA 0.002 4.529 4.527 0.001 0.000 0.299 790 F C 2.092 177.780 175.800 -0.187 0.000 1.087 790 F CA 1.113 58.828 58.000 -0.475 0.000 1.340 790 F CB -0.361 38.257 39.000 -0.637 0.000 1.031 790 F HN 0.129 nan 8.300 nan 0.000 0.500 791 E N -0.376 119.684 120.200 -0.233 0.000 2.106 791 E HA -0.151 4.199 4.350 0.001 0.000 0.192 791 E C 2.347 178.817 176.600 -0.217 0.000 0.984 791 E CA 1.397 57.621 56.400 -0.293 0.000 0.806 791 E CB -0.347 29.259 29.700 -0.157 0.000 0.750 791 E HN 0.283 nan 8.360 nan 0.000 0.458 792 V N 1.608 121.458 119.914 -0.108 0.000 2.220 792 V HA -0.288 3.833 4.120 0.001 0.000 0.246 792 V C 2.054 178.121 176.094 -0.044 0.000 1.049 792 V CA 2.032 64.299 62.300 -0.056 0.000 1.003 792 V CB -0.694 31.127 31.823 -0.004 0.000 0.634 792 V HN 0.216 nan 8.190 nan 0.000 0.444 793 F N 1.256 121.142 119.950 -0.107 0.000 2.039 793 F HA -0.355 4.173 4.527 0.001 0.000 0.296 793 F C 2.728 178.461 175.800 -0.111 0.000 1.119 793 F CA 2.680 60.662 58.000 -0.030 0.000 1.211 793 F CB -0.894 38.154 39.000 0.081 0.000 0.956 793 F HN 0.222 nan 8.300 nan 0.000 0.496 794 Q N 1.196 120.702 119.800 -0.489 0.000 2.082 794 Q HA -0.306 4.035 4.340 0.001 0.000 0.211 794 Q C 2.220 177.977 176.000 -0.404 0.000 1.002 794 Q CA 2.631 58.107 55.803 -0.545 0.000 0.868 794 Q CB -0.684 27.770 28.738 -0.474 0.000 0.931 794 Q HN 0.579 nan 8.270 nan 0.000 0.414 795 K N -0.066 120.163 120.400 -0.284 0.000 2.113 795 K HA -0.143 4.177 4.320 0.001 0.000 0.208 795 K C 2.174 178.662 176.600 -0.185 0.000 1.047 795 K CA 1.431 57.600 56.287 -0.197 0.000 0.928 795 K CB -0.200 32.215 32.500 -0.143 0.000 0.716 795 K HN 0.352 nan 8.250 nan 0.000 0.446 796 I N 1.383 121.825 120.570 -0.213 0.000 2.493 796 I HA -0.170 4.000 4.170 0.001 0.000 0.254 796 I C 1.759 177.762 176.117 -0.191 0.000 1.160 796 I CA 1.123 62.326 61.300 -0.163 0.000 1.445 796 I CB -0.792 37.140 38.000 -0.114 0.000 1.086 796 I HN 0.157 nan 8.210 nan 0.000 0.433 797 I N -0.846 119.545 120.570 -0.299 0.000 2.541 797 I HA 0.407 4.577 4.170 0.001 0.000 0.295 797 I C -0.918 175.099 176.117 -0.166 0.000 1.137 797 I CA -0.192 60.967 61.300 -0.234 0.000 1.256 797 I CB -0.215 37.594 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 -0.124 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 40.738 40.800 -0.103 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683