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 1y0v_1_A DATA FIRST_RESID 64 DATA SEQUENCE NNLVKTEFTN ETLDKIQQTQ DLLKKIPKDV LEIYSELGGE IYFTDIDLVE DATA SEQUENCE HKELQDLSEE EKNSMNSRGE KVPFASRFVF EKKRETPKLI INIKDYAINS DATA SEQUENCE EQSKEVYYEI GKGISLDIIS KDKSLDPEFL NLIKSLSDDS DSSDLLFSQK DATA SEQUENCE FKEKLELNNK SIDINFIKEN LTEFQHAFSL AFSYYFAPDH RTVLELYAPD DATA SEQUENCE MFEYMNKLEK GGFEKISESL KKEGVEKDRI DVLKGEKALK ASGLVPEHAD DATA SEQUENCE AFKKIARELN TYILFRPVNK LATNLIKSGV ATKGLNVHGK SSDWGPVAGY DATA SEQUENCE IPFDQDLSKK HGQQLAVEKG NLENKKSITE HEGEIGKIPL KLDHLRIEEL DATA SEQUENCE KENGIILKGK KEIDNGKKYY LLESNNQVYE FRISDENNEV QYKTKEGKIT DATA SEQUENCE VLGEKFNWRN IEVMAKNVEG VLKPLTADYD LFALAPSLTE IKKQIPQKEW DATA SEQUENCE DKVVNTPNSL EKQKGVTNLL IKYGIERKPD STKGTLSNWQ KQMLDRLNEA DATA SEQUENCE VKYTGYTGGD VVNHGTEQDN EEFPEKDNEI FIINPEGEFI LTKNWEMTGR DATA SEQUENCE FIEKNITGKD YLYYFNRSYN KIAPGNKAYI EWTDPITKAK INTIPTSAEF DATA SEQUENCE IKNLSSIRRS SNVGVYKDSG DKDEFAKKES VKKIAGYLSD YYNSANHIFS DATA SEQUENCE QEKKRKISIF RGIQAYNEIE NVLKSKQIAP EYKNYFQYLK ERITNQVQLL DATA SEQUENCE LTHQKSNIEF KLLYKQLNFT ENETDNFEVF QKIID VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 64 N HA 0.000 nan 4.740 nan 0.000 0.220 64 N C 0.000 175.485 175.510 -0.042 0.000 1.280 64 N CA 0.000 53.032 53.050 -0.031 0.000 0.885 64 N CB 0.000 38.470 38.487 -0.028 0.000 1.341 65 N N 0.937 119.613 118.700 -0.040 0.000 2.414 65 N HA 0.014 4.754 4.740 -0.001 0.000 0.268 65 N C 0.989 176.445 175.510 -0.090 0.000 1.286 65 N CA -0.017 53.004 53.050 -0.049 0.000 0.896 65 N CB 0.636 39.104 38.487 -0.032 0.000 1.093 65 N HN 0.288 nan 8.380 nan 0.000 0.480 66 L N 4.716 125.877 121.223 -0.103 0.000 2.179 66 L HA 0.210 4.550 4.340 -0.001 0.000 0.208 66 L C 0.286 177.020 176.870 -0.227 0.000 1.096 66 L CA 1.042 55.780 54.840 -0.169 0.000 0.779 66 L CB 0.193 42.163 42.059 -0.147 0.000 0.922 66 L HN 0.379 nan 8.230 nan 0.000 0.443 67 V N 1.259 121.090 119.914 -0.138 0.000 2.293 67 V HA 0.400 4.520 4.120 -0.001 0.000 0.275 67 V C -0.512 175.553 176.094 -0.049 0.000 1.021 67 V CA -0.663 61.574 62.300 -0.106 0.000 0.815 67 V CB 0.658 32.496 31.823 0.025 0.000 1.025 67 V HN 0.222 nan 8.190 nan 0.000 0.448 68 K N 4.345 124.678 120.400 -0.113 0.000 2.253 68 K HA 0.464 4.784 4.320 -0.001 0.000 0.277 68 K C 0.160 176.866 176.600 0.176 0.000 1.053 68 K CA -0.071 56.240 56.287 0.040 0.000 0.892 68 K CB 1.151 33.712 32.500 0.102 0.000 1.102 68 K HN 0.838 nan 8.250 nan 0.000 0.469 69 T N 0.356 115.018 114.554 0.179 0.000 2.727 69 T HA 0.159 4.508 4.350 -0.001 0.000 0.298 69 T C 0.888 175.707 174.700 0.198 0.000 0.942 69 T CA -0.787 61.441 62.100 0.213 0.000 0.997 69 T CB 1.249 70.202 68.868 0.142 0.000 0.917 69 T HN 0.459 nan 8.240 nan 0.000 0.487 70 E N 3.111 123.449 120.200 0.229 0.000 1.993 70 E HA 0.087 4.437 4.350 -0.001 0.000 0.198 70 E C -0.318 176.413 176.600 0.219 0.000 0.999 70 E CA 0.755 57.264 56.400 0.182 0.000 0.850 70 E CB 0.001 29.798 29.700 0.162 0.000 0.796 70 E HN 0.765 nan 8.360 nan 0.000 0.482 71 F N 0.652 120.639 119.950 0.061 0.000 2.410 71 F HA 0.152 4.679 4.527 -0.001 0.000 0.349 71 F C 0.688 176.502 175.800 0.023 0.000 1.117 71 F CA -0.090 57.932 58.000 0.037 0.000 1.104 71 F CB 1.128 40.148 39.000 0.034 0.000 1.122 71 F HN 0.160 nan 8.300 nan 0.000 0.483 72 T N 0.657 115.381 114.554 0.284 0.000 3.206 72 T HA 0.019 4.369 4.350 -0.001 0.000 0.253 72 T C 1.158 175.756 174.700 -0.170 0.000 1.042 72 T CA -0.134 61.986 62.100 0.034 0.000 0.931 72 T CB -0.425 68.480 68.868 0.062 0.000 1.029 72 T HN 0.639 nan 8.240 nan 0.000 0.564 73 N N 2.168 120.513 118.700 -0.591 0.000 2.019 73 N HA -0.172 4.568 4.740 -0.001 0.000 0.198 73 N C 0.166 175.408 175.510 -0.446 0.000 1.065 73 N CA 1.638 54.109 53.050 -0.965 0.000 0.881 73 N CB -0.433 36.871 38.487 -1.972 0.000 1.079 73 N HN 0.481 nan 8.380 nan 0.000 0.460 74 E N -0.128 119.843 120.200 -0.383 0.000 2.467 74 E HA -0.015 4.335 4.350 -0.001 0.000 0.264 74 E C 0.985 177.471 176.600 -0.190 0.000 1.020 74 E CA 0.383 56.637 56.400 -0.243 0.000 0.945 74 E CB 0.327 29.892 29.700 -0.225 0.000 0.942 74 E HN 0.537 nan 8.360 nan 0.000 0.449 75 T N 0.493 114.955 114.554 -0.154 0.000 5.825 75 T HA -0.007 4.343 4.350 -0.001 0.000 0.383 75 T C 1.587 176.210 174.700 -0.129 0.000 0.920 75 T CA -0.272 61.757 62.100 -0.118 0.000 0.947 75 T CB -0.113 68.700 68.868 -0.091 0.000 1.292 75 T HN 0.257 nan 8.240 nan 0.000 0.356 76 L N 1.170 122.325 121.223 -0.114 0.000 1.884 76 L HA -0.143 4.196 4.340 -0.001 0.000 0.236 76 L C 2.529 179.297 176.870 -0.170 0.000 1.088 76 L CA 2.014 56.783 54.840 -0.119 0.000 0.841 76 L CB -1.370 40.631 42.059 -0.096 0.000 0.900 76 L HN 0.657 nan 8.230 nan 0.000 0.427 77 D N -0.271 120.008 120.400 -0.202 0.000 6.851 77 D HA -0.354 4.286 4.640 -0.001 0.000 0.280 77 D C 1.752 177.882 176.300 -0.285 0.000 2.027 77 D CA 2.724 56.542 54.000 -0.303 0.000 0.642 77 D CB -0.475 39.998 40.800 -0.546 0.000 0.345 77 D HN 0.377 nan 8.370 nan 0.000 1.120 78 K N 1.202 121.445 120.400 -0.261 0.000 1.965 78 K HA -0.061 4.258 4.320 -0.001 0.000 0.214 78 K C 2.343 178.815 176.600 -0.215 0.000 1.046 78 K CA 1.399 57.553 56.287 -0.221 0.000 0.944 78 K CB -0.932 31.456 32.500 -0.185 0.000 0.726 78 K HN 0.340 nan 8.250 nan 0.000 0.441 79 I N 0.667 121.128 120.570 -0.181 0.000 2.053 79 I HA -0.299 3.871 4.170 -0.001 0.000 0.236 79 I C 2.140 178.152 176.117 -0.174 0.000 1.038 79 I CA 1.806 63.006 61.300 -0.167 0.000 1.304 79 I CB -0.574 37.356 38.000 -0.117 0.000 1.023 79 I HN 0.386 nan 8.210 nan 0.000 0.395 80 Q N 0.637 120.349 119.800 -0.145 0.000 2.536 80 Q HA -0.184 4.156 4.340 -0.001 0.000 0.207 80 Q C 1.254 177.173 176.000 -0.136 0.000 0.940 80 Q CA 0.940 56.669 55.803 -0.124 0.000 1.020 80 Q CB -0.241 28.436 28.738 -0.101 0.000 1.019 80 Q HN 0.493 nan 8.270 nan 0.000 0.554 81 Q N -2.960 116.732 119.800 -0.179 0.000 2.330 81 Q HA 0.011 4.350 4.340 -0.001 0.000 0.254 81 Q C 1.175 177.022 176.000 -0.255 0.000 0.777 81 Q CA 0.773 56.468 55.803 -0.181 0.000 0.972 81 Q CB 0.544 29.172 28.738 -0.184 0.000 1.236 81 Q HN 0.526 nan 8.270 nan 0.000 0.508 82 T N -0.267 114.066 114.554 -0.368 0.000 2.770 82 T HA -0.078 4.271 4.350 -0.001 0.000 0.258 82 T C 1.710 176.192 174.700 -0.363 0.000 1.039 82 T CA 1.162 62.883 62.100 -0.632 0.000 1.143 82 T CB -0.348 67.979 68.868 -0.903 0.000 0.866 82 T HN 0.228 nan 8.240 nan 0.000 0.428 83 Q N 1.385 121.047 119.800 -0.231 0.000 1.985 83 Q HA -0.207 4.133 4.340 -0.001 0.000 0.207 83 Q C 2.190 178.139 176.000 -0.086 0.000 0.996 83 Q CA 1.985 57.716 55.803 -0.119 0.000 0.851 83 Q CB -0.624 28.060 28.738 -0.091 0.000 0.921 83 Q HN 0.460 nan 8.270 nan 0.000 0.418 84 D N 0.197 120.542 120.400 -0.091 0.000 2.332 84 D HA -0.168 4.471 4.640 -0.001 0.000 0.209 84 D C 1.451 177.731 176.300 -0.033 0.000 0.988 84 D CA 0.848 54.814 54.000 -0.057 0.000 0.912 84 D CB 0.002 40.765 40.800 -0.061 0.000 0.899 84 D HN 0.065 nan 8.370 nan 0.000 0.477 85 L N -0.682 120.514 121.223 -0.045 0.000 2.221 85 L HA 0.138 4.477 4.340 -0.001 0.000 0.202 85 L C 1.856 178.798 176.870 0.119 0.000 1.074 85 L CA 0.819 55.685 54.840 0.043 0.000 0.795 85 L CB -0.042 42.014 42.059 -0.005 0.000 0.960 85 L HN 0.059 nan 8.230 nan 0.000 0.458 86 L N -0.277 120.997 121.223 0.086 0.000 2.217 86 L HA -0.146 4.194 4.340 -0.001 0.000 0.211 86 L C 2.294 179.180 176.870 0.026 0.000 1.107 86 L CA 1.082 55.983 54.840 0.101 0.000 0.783 86 L CB -0.519 41.601 42.059 0.102 0.000 0.919 86 L HN 0.326 nan 8.230 nan 0.000 0.442 87 K N 0.313 120.713 120.400 0.001 0.000 2.439 87 K HA -0.145 4.175 4.320 -0.001 0.000 0.197 87 K C 2.089 178.667 176.600 -0.037 0.000 1.041 87 K CA 0.750 57.025 56.287 -0.020 0.000 0.970 87 K CB 0.000 32.488 32.500 -0.021 0.000 0.773 87 K HN 0.099 nan 8.250 nan 0.000 0.479 88 K N 1.960 122.346 120.400 -0.023 0.000 2.044 88 K HA 0.009 4.328 4.320 -0.001 0.000 0.204 88 K C 0.592 177.106 176.600 -0.143 0.000 1.049 88 K CA 0.379 56.641 56.287 -0.042 0.000 0.945 88 K CB -0.128 32.381 32.500 0.014 0.000 0.724 88 K HN 0.239 nan 8.250 nan 0.000 0.440 89 I N 4.704 125.206 120.570 -0.114 0.000 2.588 89 I HA 0.074 4.244 4.170 -0.001 0.000 0.283 89 I C -1.986 173.943 176.117 -0.313 0.000 1.119 89 I CA -2.071 59.086 61.300 -0.238 0.000 1.419 89 I CB 0.487 38.461 38.000 -0.042 0.000 1.394 89 I HN 0.091 nan 8.210 nan 0.000 0.562 90 P HA -0.050 nan 4.420 nan 0.000 0.262 90 P C 0.132 177.347 177.300 -0.142 0.000 1.199 90 P CA -0.153 62.740 63.100 -0.346 0.000 0.763 90 P CB 0.761 32.234 31.700 -0.378 0.000 0.790 91 K N 3.034 123.383 120.400 -0.084 0.000 2.374 91 K HA -0.193 4.126 4.320 -0.001 0.000 0.202 91 K C 0.967 177.555 176.600 -0.020 0.000 1.044 91 K CA 1.697 57.959 56.287 -0.040 0.000 0.933 91 K CB -0.297 32.190 32.500 -0.022 0.000 0.745 91 K HN 0.401 nan 8.250 nan 0.000 0.474 92 D N -1.600 118.797 120.400 -0.004 0.000 2.454 92 D HA -0.027 4.613 4.640 -0.001 0.000 0.214 92 D C 1.351 177.612 176.300 -0.064 0.000 1.088 92 D CA 0.248 54.260 54.000 0.020 0.000 0.855 92 D CB 0.368 41.233 40.800 0.108 0.000 1.025 92 D HN 0.054 nan 8.370 nan 0.000 0.502 93 V N 1.222 121.034 119.914 -0.170 0.000 2.626 93 V HA -0.153 3.967 4.120 -0.001 0.000 0.252 93 V C 2.149 178.159 176.094 -0.140 0.000 1.067 93 V CA 1.128 63.205 62.300 -0.371 0.000 1.081 93 V CB -0.250 31.435 31.823 -0.230 0.000 0.686 93 V HN 0.134 nan 8.190 nan 0.000 0.468 94 L N -0.627 120.562 121.223 -0.056 0.000 1.988 94 L HA -0.074 4.266 4.340 -0.001 0.000 0.207 94 L C 2.706 179.590 176.870 0.024 0.000 1.071 94 L CA 1.758 56.603 54.840 0.008 0.000 0.744 94 L CB -0.960 41.086 42.059 -0.021 0.000 0.893 94 L HN 0.262 nan 8.230 nan 0.000 0.433 95 E N 0.364 120.561 120.200 -0.004 0.000 2.273 95 E HA -0.207 4.143 4.350 -0.001 0.000 0.198 95 E C 2.134 178.735 176.600 0.002 0.000 1.002 95 E CA 1.138 57.540 56.400 0.003 0.000 0.828 95 E CB -0.086 29.617 29.700 0.006 0.000 0.747 95 E HN 0.574 nan 8.360 nan 0.000 0.491 96 I N -0.749 119.805 120.570 -0.026 0.000 2.500 96 I HA -0.210 3.960 4.170 -0.001 0.000 0.252 96 I C 2.172 178.256 176.117 -0.055 0.000 1.142 96 I CA 0.642 61.906 61.300 -0.059 0.000 1.451 96 I CB -0.187 37.728 38.000 -0.142 0.000 1.093 96 I HN 0.092 nan 8.210 nan 0.000 0.430 97 Y N 1.281 121.508 120.300 -0.123 0.000 2.177 97 Y HA -0.203 4.347 4.550 -0.001 0.000 0.291 97 Y C 2.806 178.644 175.900 -0.103 0.000 1.117 97 Y CA 1.125 59.150 58.100 -0.125 0.000 1.114 97 Y CB 0.160 38.530 38.460 -0.150 0.000 1.017 97 Y HN 0.126 nan 8.280 nan 0.000 0.505 98 S N -0.375 115.408 115.700 0.139 0.000 2.711 98 S HA -0.118 4.351 4.470 -0.001 0.000 0.237 98 S C 1.084 175.699 174.600 0.025 0.000 0.971 98 S CA 1.215 59.435 58.200 0.034 0.000 0.964 98 S CB -0.240 62.950 63.200 -0.017 0.000 0.775 98 S HN 0.524 nan 8.310 nan 0.000 0.540 99 E N 0.943 121.165 120.200 0.035 0.000 2.306 99 E HA 0.335 4.685 4.350 -0.001 0.000 0.201 99 E C 1.330 177.930 176.600 -0.000 0.000 0.874 99 E CA 0.169 56.573 56.400 0.006 0.000 0.972 99 E CB -0.307 29.390 29.700 -0.005 0.000 0.957 99 E HN 0.515 nan 8.360 nan 0.000 0.492 100 L N 0.128 121.348 121.223 -0.005 0.000 2.749 100 L HA 0.142 4.482 4.340 -0.001 0.000 0.245 100 L C 1.136 178.010 176.870 0.007 0.000 1.156 100 L CA 0.723 55.547 54.840 -0.027 0.000 0.890 100 L CB -0.440 41.564 42.059 -0.092 0.000 1.036 100 L HN 0.491 nan 8.230 nan 0.000 0.441 101 G N -0.623 108.191 108.800 0.024 0.000 2.179 101 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.260 101 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.260 101 G C 0.635 175.555 174.900 0.033 0.000 0.977 101 G CA -0.080 45.030 45.100 0.017 0.000 0.641 101 G HN 0.548 nan 8.290 nan 0.000 0.533 102 G N -0.633 108.238 108.800 0.119 0.000 2.667 102 G HA2 0.548 4.508 3.960 -0.001 0.000 0.250 102 G HA3 0.548 4.508 3.960 -0.001 0.000 0.250 102 G C -0.156 174.659 174.900 -0.141 0.000 1.212 102 G CA 0.351 45.531 45.100 0.133 0.000 0.874 102 G HN 0.606 nan 8.290 nan 0.000 0.561 103 E N -1.177 118.820 120.200 -0.339 0.000 2.372 103 E HA 0.398 4.748 4.350 -0.001 0.000 0.279 103 E C -1.120 175.071 176.600 -0.682 0.000 0.946 103 E CA -0.634 55.470 56.400 -0.492 0.000 0.769 103 E CB 2.518 31.933 29.700 -0.474 0.000 1.230 103 E HN 0.328 nan 8.360 nan 0.000 0.442 104 I N 2.058 122.205 120.570 -0.704 0.000 2.433 104 I HA 0.337 4.507 4.170 -0.001 0.000 0.292 104 I C -1.090 174.613 176.117 -0.690 0.000 1.001 104 I CA -0.772 60.128 61.300 -0.667 0.000 1.119 104 I CB 0.995 38.639 38.000 -0.594 0.000 1.289 104 I HN 0.441 nan 8.210 nan 0.000 0.438 105 Y N 5.469 125.561 120.300 -0.346 0.000 2.342 105 Y HA 0.422 4.972 4.550 -0.001 0.000 0.338 105 Y C -0.579 175.152 175.900 -0.282 0.000 0.965 105 Y CA -0.628 57.336 58.100 -0.228 0.000 1.159 105 Y CB 1.256 39.655 38.460 -0.101 0.000 1.157 105 Y HN 0.345 nan 8.280 nan 0.000 0.486 106 F N 2.469 122.521 119.950 0.171 0.000 2.375 106 F HA 0.378 4.905 4.527 -0.001 0.000 0.361 106 F C 0.494 176.366 175.800 0.120 0.000 1.117 106 F CA -1.049 57.007 58.000 0.092 0.000 1.037 106 F CB 1.199 40.217 39.000 0.029 0.000 1.192 106 F HN 0.375 nan 8.300 nan 0.000 0.452 107 T N -1.141 113.588 114.554 0.291 0.000 2.841 107 T HA 0.425 4.774 4.350 -0.001 0.000 0.276 107 T C 0.315 175.145 174.700 0.217 0.000 1.003 107 T CA -0.671 61.564 62.100 0.226 0.000 0.995 107 T CB 2.076 71.039 68.868 0.159 0.000 1.260 107 T HN 0.292 nan 8.240 nan 0.000 0.581 108 D N -0.192 120.354 120.400 0.244 0.000 1.992 108 D HA 0.180 4.820 4.640 -0.001 0.000 0.304 108 D C 1.011 177.410 176.300 0.165 0.000 1.099 108 D CA 0.053 54.197 54.000 0.239 0.000 0.846 108 D CB -0.142 40.931 40.800 0.455 0.000 1.011 108 D HN 0.606 nan 8.370 nan 0.000 0.336 109 I N 0.832 121.494 120.570 0.154 0.000 3.874 109 I HA 0.097 4.266 4.170 -0.001 0.000 0.331 109 I C 0.342 176.506 176.117 0.078 0.000 1.489 109 I CA -0.063 61.294 61.300 0.095 0.000 1.187 109 I CB -0.028 38.008 38.000 0.060 0.000 1.150 109 I HN 0.015 nan 8.210 nan 0.000 0.412 110 D N 1.404 121.878 120.400 0.124 0.000 2.311 110 D HA -0.142 4.498 4.640 -0.001 0.000 0.212 110 D C 2.047 178.426 176.300 0.132 0.000 0.972 110 D CA 0.737 54.832 54.000 0.158 0.000 0.887 110 D CB 0.109 41.017 40.800 0.180 0.000 0.915 110 D HN 0.246 nan 8.370 nan 0.000 0.497 111 L N -0.751 120.530 121.223 0.097 0.000 3.510 111 L HA -0.419 3.920 4.340 -0.001 0.000 0.067 111 L C 1.271 178.179 176.870 0.063 0.000 4.234 111 L CA 1.713 56.590 54.840 0.063 0.000 0.849 111 L CB -1.745 40.325 42.059 0.018 0.000 3.415 111 L HN 0.041 nan 8.230 nan 0.000 0.648 112 V N -0.420 119.550 119.914 0.094 0.000 3.930 112 V HA -0.155 3.965 4.120 -0.001 0.000 0.279 112 V C 1.561 177.875 176.094 0.368 0.000 1.009 112 V CA 0.709 63.145 62.300 0.227 0.000 1.018 112 V CB -0.074 31.883 31.823 0.223 0.000 1.220 112 V HN 0.485 nan 8.190 nan 0.000 0.448 113 E N -0.859 119.617 120.200 0.460 0.000 2.526 113 E HA -0.212 4.137 4.350 -0.001 0.000 0.205 113 E C 1.510 178.249 176.600 0.231 0.000 1.104 113 E CA 0.669 57.262 56.400 0.322 0.000 0.899 113 E CB -0.419 29.376 29.700 0.159 0.000 0.838 113 E HN 0.670 nan 8.360 nan 0.000 0.564 114 H N 1.033 120.180 119.070 0.128 0.000 2.521 114 H HA 0.045 4.600 4.556 -0.001 0.000 0.286 114 H C 0.514 175.871 175.328 0.047 0.000 1.034 114 H CA 0.747 56.839 56.048 0.072 0.000 1.278 114 H CB 0.311 30.111 29.762 0.064 0.000 1.386 114 H HN -0.151 nan 8.280 nan 0.000 0.567 115 K N 1.441 121.919 120.400 0.131 0.000 2.401 115 K HA -0.051 4.268 4.320 -0.001 0.000 0.278 115 K C 0.607 177.183 176.600 -0.041 0.000 1.018 115 K CA 0.166 56.476 56.287 0.038 0.000 0.981 115 K CB 0.530 33.067 32.500 0.061 0.000 0.933 115 K HN 0.615 nan 8.250 nan 0.000 0.477 116 E N 3.246 123.381 120.200 -0.108 0.000 2.381 116 E HA -0.111 4.238 4.350 -0.001 0.000 0.198 116 E C 0.484 177.005 176.600 -0.130 0.000 1.204 116 E CA 0.305 56.626 56.400 -0.131 0.000 0.998 116 E CB 0.048 29.652 29.700 -0.160 0.000 1.080 116 E HN 0.230 nan 8.360 nan 0.000 0.481 117 L N 0.113 121.283 121.223 -0.088 0.000 4.368 117 L HA 0.064 4.403 4.340 -0.001 0.000 0.430 117 L C 0.712 177.592 176.870 0.017 0.000 1.098 117 L CA 0.275 55.081 54.840 -0.056 0.000 1.557 117 L CB 0.708 42.702 42.059 -0.108 0.000 1.638 117 L HN 0.100 nan 8.230 nan 0.000 0.622 118 Q N 0.171 120.006 119.800 0.058 0.000 2.320 118 Q HA 0.165 4.504 4.340 -0.001 0.000 0.201 118 Q C -0.445 175.620 176.000 0.109 0.000 0.910 118 Q CA 0.164 56.056 55.803 0.148 0.000 0.946 118 Q CB 0.617 29.508 28.738 0.254 0.000 1.062 118 Q HN 0.362 nan 8.270 nan 0.000 0.503 119 D N 0.620 121.047 120.400 0.045 0.000 2.304 119 D HA 0.047 4.686 4.640 -0.001 0.000 0.247 119 D C 0.467 176.773 176.300 0.011 0.000 1.089 119 D CA -0.483 53.527 54.000 0.017 0.000 0.910 119 D CB 0.949 41.746 40.800 -0.005 0.000 1.199 119 D HN -0.051 nan 8.370 nan 0.000 0.426 120 L N 1.885 123.106 121.223 -0.004 0.000 2.884 120 L HA -0.241 4.099 4.340 -0.001 0.000 0.294 120 L C 0.494 177.364 176.870 0.001 0.000 1.164 120 L CA 1.458 56.295 54.840 -0.006 0.000 0.918 120 L CB -0.491 41.559 42.059 -0.014 0.000 1.281 120 L HN 0.451 nan 8.230 nan 0.000 0.478 121 S N 2.170 117.874 115.700 0.006 0.000 4.074 121 S HA 0.117 4.587 4.470 -0.001 0.000 0.220 121 S C -0.265 174.337 174.600 0.004 0.000 1.164 121 S CA -0.047 58.154 58.200 0.002 0.000 1.020 121 S CB 1.010 64.211 63.200 0.001 0.000 1.299 121 S HN 0.773 nan 8.310 nan 0.000 0.509 122 E N 1.950 122.154 120.200 0.008 0.000 2.956 122 E HA 0.133 4.483 4.350 -0.001 0.000 0.353 122 E C -0.133 176.486 176.600 0.031 0.000 1.131 122 E CA -0.205 56.202 56.400 0.011 0.000 0.851 122 E CB 0.338 30.035 29.700 -0.004 0.000 1.500 122 E HN 0.420 nan 8.360 nan 0.000 0.384 123 E N 2.000 122.237 120.200 0.062 0.000 2.226 123 E HA 0.091 4.441 4.350 -0.001 0.000 0.238 123 E C -0.271 176.443 176.600 0.191 0.000 0.859 123 E CA 0.344 56.829 56.400 0.142 0.000 1.114 123 E CB 0.008 29.768 29.700 0.099 0.000 1.184 123 E HN 0.201 nan 8.360 nan 0.000 0.517 124 E N 0.151 120.428 120.200 0.128 0.000 2.186 124 E HA 0.237 4.587 4.350 -0.001 0.000 0.255 124 E C -0.028 176.614 176.600 0.071 0.000 0.881 124 E CA -0.364 56.109 56.400 0.122 0.000 0.752 124 E CB 1.385 31.144 29.700 0.098 0.000 1.176 124 E HN 0.099 nan 8.360 nan 0.000 0.421 125 K N 2.332 122.776 120.400 0.073 0.000 2.225 125 K HA 0.258 4.578 4.320 -0.001 0.000 0.204 125 K C -0.367 176.263 176.600 0.050 0.000 1.047 125 K CA 0.400 56.717 56.287 0.050 0.000 0.970 125 K CB 0.218 32.744 32.500 0.044 0.000 0.939 125 K HN 0.318 nan 8.250 nan 0.000 0.472 126 N N 0.277 119.015 118.700 0.063 0.000 2.448 126 N HA 0.185 4.924 4.740 -0.001 0.000 0.279 126 N C -1.499 174.057 175.510 0.078 0.000 1.025 126 N CA -0.127 52.959 53.050 0.061 0.000 0.898 126 N CB 1.969 40.490 38.487 0.057 0.000 1.303 126 N HN -0.174 nan 8.380 nan 0.000 0.495 127 S N 2.357 118.097 115.700 0.067 0.000 2.549 127 S HA 0.356 4.826 4.470 -0.001 0.000 0.283 127 S C 0.663 175.308 174.600 0.074 0.000 1.320 127 S CA -0.074 58.169 58.200 0.072 0.000 1.058 127 S CB 0.046 63.277 63.200 0.052 0.000 0.882 127 S HN 0.711 nan 8.310 nan 0.000 0.498 128 M N 0.592 120.248 119.600 0.093 0.000 5.942 128 M HA 0.148 4.627 4.480 -0.001 0.000 0.699 128 M C -0.611 175.763 176.300 0.124 0.000 2.491 128 M CA -0.414 54.934 55.300 0.079 0.000 0.176 128 M CB -1.167 31.517 32.600 0.141 0.000 1.414 128 M HN 0.399 nan 8.290 nan 0.000 0.743 129 N N 2.136 120.905 118.700 0.116 0.000 2.174 129 N HA 0.141 4.881 4.740 -0.001 0.000 0.255 129 N C 0.226 175.832 175.510 0.160 0.000 1.279 129 N CA 0.659 53.798 53.050 0.148 0.000 0.935 129 N CB 0.025 38.567 38.487 0.093 0.000 1.013 129 N HN 0.587 nan 8.380 nan 0.000 0.427 130 S N 0.662 116.446 115.700 0.140 0.000 3.116 130 S HA -0.229 4.241 4.470 -0.001 0.000 0.373 130 S C 1.101 175.908 174.600 0.346 0.000 1.193 130 S CA 0.255 58.588 58.200 0.221 0.000 0.972 130 S CB 0.234 63.363 63.200 -0.118 0.000 0.671 130 S HN 0.704 nan 8.310 nan 0.000 0.488 131 R N 2.907 123.768 120.500 0.602 0.000 2.397 131 R HA -0.355 3.984 4.340 -0.001 0.000 0.194 131 R C 1.808 178.193 176.300 0.142 0.000 0.941 131 R CA 2.826 59.117 56.100 0.318 0.000 0.434 131 R CB -1.502 28.977 30.300 0.298 0.000 0.737 131 R HN 0.919 nan 8.270 nan 0.000 0.272 132 G N -1.518 107.362 108.800 0.135 0.000 2.692 132 G HA2 0.159 4.119 3.960 -0.001 0.000 0.209 132 G HA3 0.159 4.119 3.960 -0.001 0.000 0.209 132 G C -0.157 174.749 174.900 0.010 0.000 1.166 132 G CA 0.665 45.790 45.100 0.042 0.000 0.844 132 G HN 0.481 nan 8.290 nan 0.000 0.596 133 E N -2.815 117.409 120.200 0.040 0.000 2.374 133 E HA 0.471 4.821 4.350 -0.001 0.000 0.281 133 E C -0.398 176.211 176.600 0.014 0.000 1.170 133 E CA -0.527 55.885 56.400 0.020 0.000 0.919 133 E CB 0.641 30.346 29.700 0.007 0.000 1.218 133 E HN 0.055 nan 8.360 nan 0.000 0.425 134 K N 0.752 121.155 120.400 0.004 0.000 2.999 134 K HA 0.294 4.614 4.320 -0.001 0.000 0.295 134 K C -0.267 176.331 176.600 -0.003 0.000 2.894 134 K CA 0.320 56.600 56.287 -0.011 0.000 1.567 134 K CB 0.176 32.649 32.500 -0.045 0.000 3.115 134 K HN 0.577 nan 8.250 nan 0.000 0.312 135 V N 0.615 120.525 119.914 -0.007 0.000 0.821 135 V HA -0.116 4.003 4.120 -0.001 0.000 0.118 135 V C -2.786 173.321 176.094 0.022 0.000 2.758 135 V CA 1.156 63.463 62.300 0.012 0.000 3.700 135 V CB -1.112 30.726 31.823 0.025 0.000 1.179 135 V HN 0.431 nan 8.190 nan 0.000 1.167 136 P HA 0.112 nan 4.420 nan 0.000 0.264 136 P C 0.875 178.187 177.300 0.020 0.000 1.537 136 P CA 0.094 63.205 63.100 0.018 0.000 1.189 136 P CB -0.079 31.614 31.700 -0.012 0.000 1.687 137 F N 4.134 124.034 119.950 -0.085 0.000 2.043 137 F HA -0.310 4.217 4.527 -0.001 0.000 0.297 137 F C 2.283 178.042 175.800 -0.069 0.000 1.118 137 F CA 2.392 60.325 58.000 -0.112 0.000 1.202 137 F CB -0.663 38.277 39.000 -0.100 0.000 0.965 137 F HN 0.319 nan 8.300 nan 0.000 0.482 138 A N -0.764 122.158 122.820 0.170 0.000 2.148 138 A HA -0.211 4.109 4.320 -0.001 0.000 0.222 138 A C 1.872 179.408 177.584 -0.080 0.000 1.161 138 A CA 1.727 53.803 52.037 0.065 0.000 0.662 138 A CB -1.250 17.816 19.000 0.109 0.000 0.799 138 A HN 0.523 nan 8.150 nan 0.000 0.466 139 S N -1.275 114.356 115.700 -0.115 0.000 2.537 139 S HA 0.452 4.922 4.470 -0.001 0.000 0.246 139 S C 0.259 174.755 174.600 -0.174 0.000 1.036 139 S CA -0.733 57.389 58.200 -0.131 0.000 1.041 139 S CB 0.137 63.277 63.200 -0.101 0.000 0.799 139 S HN 0.311 nan 8.310 nan 0.000 0.456 140 R N 0.641 121.006 120.500 -0.225 0.000 2.854 140 R HA 0.553 4.893 4.340 -0.001 0.000 0.271 140 R C -0.062 176.274 176.300 0.059 0.000 0.996 140 R CA -0.948 55.090 56.100 -0.103 0.000 0.961 140 R CB 1.116 31.259 30.300 -0.262 0.000 1.182 140 R HN 0.408 nan 8.270 nan 0.000 0.479 141 F N -2.088 117.793 119.950 -0.115 0.000 2.784 141 F HA 0.386 4.912 4.527 -0.001 0.000 0.316 141 F C 0.153 175.986 175.800 0.055 0.000 1.026 141 F CA -0.660 57.323 58.000 -0.028 0.000 1.188 141 F CB -0.161 38.841 39.000 0.004 0.000 0.999 141 F HN -0.027 nan 8.300 nan 0.000 0.605 142 V N 2.953 122.797 119.914 -0.117 0.000 2.417 142 V HA 0.561 4.681 4.120 -0.001 0.000 0.291 142 V C -1.378 174.830 176.094 0.189 0.000 1.024 142 V CA -0.471 61.771 62.300 -0.096 0.000 0.861 142 V CB 1.813 33.484 31.823 -0.254 0.000 0.985 142 V HN 0.196 nan 8.190 nan 0.000 0.436 143 F N 3.611 123.579 119.950 0.030 0.000 2.628 143 F HA 0.590 5.117 4.527 -0.001 0.000 0.309 143 F C -0.638 175.210 175.800 0.080 0.000 1.108 143 F CA -1.453 56.590 58.000 0.071 0.000 0.971 143 F CB 2.228 41.287 39.000 0.098 0.000 1.279 143 F HN 0.575 nan 8.300 nan 0.000 0.441 144 E N 4.056 124.158 120.200 -0.164 0.000 2.113 144 E HA 0.243 4.593 4.350 -0.001 0.000 0.273 144 E C -0.991 175.264 176.600 -0.574 0.000 0.924 144 E CA -0.409 55.839 56.400 -0.254 0.000 0.764 144 E CB 1.173 30.828 29.700 -0.075 0.000 1.104 144 E HN 0.491 nan 8.360 nan 0.000 0.406 145 K N 5.110 125.294 120.400 -0.359 0.000 2.199 145 K HA -0.008 4.312 4.320 -0.001 0.000 0.226 145 K C 0.977 177.462 176.600 -0.191 0.000 1.237 145 K CA 0.165 56.269 56.287 -0.304 0.000 1.170 145 K CB -0.089 32.334 32.500 -0.128 0.000 1.418 145 K HN 0.585 nan 8.250 nan 0.000 0.255 146 K N 1.094 121.358 120.400 -0.226 0.000 2.277 146 K HA -0.302 4.018 4.320 -0.001 0.000 0.206 146 K C 1.289 177.846 176.600 -0.072 0.000 1.044 146 K CA 1.385 57.601 56.287 -0.118 0.000 0.932 146 K CB -0.109 32.344 32.500 -0.078 0.000 0.726 146 K HN 0.376 nan 8.250 nan 0.000 0.473 147 R N 0.283 120.746 120.500 -0.061 0.000 2.075 147 R HA -0.067 4.273 4.340 -0.001 0.000 0.226 147 R C 1.913 178.194 176.300 -0.032 0.000 1.114 147 R CA 1.886 57.963 56.100 -0.038 0.000 0.972 147 R CB 0.074 30.358 30.300 -0.027 0.000 0.869 147 R HN 0.509 nan 8.270 nan 0.000 0.437 148 E N -0.931 119.252 120.200 -0.028 0.000 3.045 148 E HA -0.026 4.323 4.350 -0.001 0.000 0.219 148 E C -0.166 176.421 176.600 -0.022 0.000 1.168 148 E CA 0.099 56.485 56.400 -0.023 0.000 1.067 148 E CB 0.077 29.768 29.700 -0.015 0.000 2.714 148 E HN -0.081 nan 8.360 nan 0.000 0.562 149 T N 3.845 118.394 114.554 -0.008 0.000 2.855 149 T HA 0.331 4.680 4.350 -0.001 0.000 0.290 149 T C -2.380 172.338 174.700 0.031 0.000 0.941 149 T CA -2.198 59.907 62.100 0.009 0.000 1.030 149 T CB 0.381 69.256 68.868 0.012 0.000 0.935 149 T HN 0.112 nan 8.240 nan 0.000 0.564 150 P HA 0.003 nan 4.420 nan 0.000 0.253 150 P C -0.741 176.667 177.300 0.179 0.000 1.159 150 P CA 0.366 63.529 63.100 0.105 0.000 0.779 150 P CB 0.126 31.843 31.700 0.028 0.000 0.745 151 K N 3.506 123.942 120.400 0.059 0.000 2.334 151 K HA 0.357 4.677 4.320 -0.001 0.000 0.265 151 K C -0.292 176.300 176.600 -0.014 0.000 1.039 151 K CA -0.947 55.346 56.287 0.009 0.000 0.920 151 K CB 0.981 33.514 32.500 0.054 0.000 1.160 151 K HN 0.325 nan 8.250 nan 0.000 0.451 152 L N 5.415 126.573 121.223 -0.109 0.000 2.257 152 L HA 0.427 4.767 4.340 -0.001 0.000 0.290 152 L C -0.932 175.888 176.870 -0.082 0.000 1.044 152 L CA -0.155 54.628 54.840 -0.096 0.000 0.810 152 L CB 0.509 42.443 42.059 -0.208 0.000 1.193 152 L HN 0.544 nan 8.230 nan 0.000 0.425 153 I N 6.210 126.801 120.570 0.036 0.000 2.436 153 I HA 0.486 4.655 4.170 -0.001 0.000 0.289 153 I C -0.690 175.466 176.117 0.066 0.000 1.010 153 I CA -0.582 60.767 61.300 0.082 0.000 1.098 153 I CB 1.606 39.705 38.000 0.165 0.000 1.266 153 I HN 0.423 nan 8.210 nan 0.000 0.434 154 I N 5.199 125.775 120.570 0.010 0.000 3.191 154 I HA 0.545 4.714 4.170 -0.001 0.000 0.313 154 I C -0.873 175.359 176.117 0.192 0.000 1.193 154 I CA -0.671 60.661 61.300 0.054 0.000 0.968 154 I CB 2.005 39.975 38.000 -0.050 0.000 1.262 154 I HN 0.648 nan 8.210 nan 0.000 0.456 155 N N 1.601 120.421 118.700 0.200 0.000 3.106 155 N HA 0.698 5.437 4.740 -0.001 0.000 0.253 155 N C -1.782 173.841 175.510 0.189 0.000 1.506 155 N CA -0.372 52.803 53.050 0.208 0.000 0.876 155 N CB 2.592 41.187 38.487 0.179 0.000 1.452 155 N HN 0.417 nan 8.380 nan 0.000 0.542 156 I N -1.133 119.509 120.570 0.121 0.000 2.918 156 I HA 0.409 4.578 4.170 -0.001 0.000 0.301 156 I C 0.520 176.662 176.117 0.041 0.000 1.312 156 I CA -0.602 60.746 61.300 0.081 0.000 1.007 156 I CB 2.086 40.094 38.000 0.014 0.000 1.281 156 I HN 0.801 nan 8.210 nan 0.000 0.440 157 K N 1.338 121.756 120.400 0.030 0.000 2.494 157 K HA 0.447 4.766 4.320 -0.001 0.000 0.244 157 K C -0.491 176.129 176.600 0.033 0.000 1.137 157 K CA 0.656 56.956 56.287 0.021 0.000 0.872 157 K CB 0.059 32.569 32.500 0.017 0.000 1.456 157 K HN 0.619 nan 8.250 nan 0.000 0.435 158 D N -1.172 119.271 120.400 0.073 0.000 2.340 158 D HA 0.256 4.896 4.640 -0.001 0.000 0.243 158 D C -0.866 175.612 176.300 0.296 0.000 0.988 158 D CA -0.445 53.673 54.000 0.196 0.000 0.959 158 D CB 0.824 41.709 40.800 0.143 0.000 1.226 158 D HN 0.138 nan 8.370 nan 0.000 0.509 159 Y N 0.556 120.838 120.300 -0.030 0.000 2.871 159 Y HA 0.492 5.042 4.550 -0.001 0.000 0.378 159 Y C 0.312 176.198 175.900 -0.024 0.000 1.069 159 Y CA -0.441 57.641 58.100 -0.030 0.000 1.662 159 Y CB -0.772 37.669 38.460 -0.030 0.000 1.561 159 Y HN 0.231 nan 8.280 nan 0.000 0.483 160 A N -0.616 122.293 122.820 0.149 0.000 2.485 160 A HA 0.875 5.194 4.320 -0.001 0.000 0.292 160 A C 0.181 177.802 177.584 0.063 0.000 1.147 160 A CA -0.401 51.689 52.037 0.088 0.000 0.750 160 A CB 1.397 20.431 19.000 0.057 0.000 1.331 160 A HN 0.282 nan 8.150 nan 0.000 0.419 161 I N -1.495 119.108 120.570 0.054 0.000 5.390 161 I HA -0.047 4.122 4.170 -0.001 0.000 0.377 161 I C 0.984 177.135 176.117 0.058 0.000 1.000 161 I CA -0.037 61.304 61.300 0.068 0.000 1.665 161 I CB -0.194 37.844 38.000 0.064 0.000 2.407 161 I HN 0.606 nan 8.210 nan 0.000 0.791 162 N N 1.464 120.187 118.700 0.038 0.000 2.122 162 N HA 0.031 4.771 4.740 -0.001 0.000 0.187 162 N C 1.371 176.895 175.510 0.023 0.000 1.065 162 N CA 1.367 54.431 53.050 0.024 0.000 0.960 162 N CB -0.484 38.011 38.487 0.014 0.000 1.115 162 N HN 0.050 nan 8.380 nan 0.000 0.482 163 S N 0.350 116.060 115.700 0.016 0.000 2.521 163 S HA -0.321 4.148 4.470 -0.001 0.000 0.517 163 S C 0.674 175.286 174.600 0.020 0.000 0.973 163 S CA 2.097 60.306 58.200 0.015 0.000 3.182 163 S CB -0.856 62.352 63.200 0.013 0.000 2.244 163 S HN 0.672 nan 8.310 nan 0.000 0.529 164 E N 1.020 121.238 120.200 0.030 0.000 2.400 164 E HA 0.324 4.673 4.350 -0.001 0.000 0.232 164 E C 0.100 176.738 176.600 0.063 0.000 0.988 164 E CA -0.130 56.297 56.400 0.044 0.000 0.823 164 E CB 0.361 30.087 29.700 0.043 0.000 1.246 164 E HN 0.412 nan 8.360 nan 0.000 0.441 165 Q N 0.596 120.427 119.800 0.052 0.000 2.591 165 Q HA -0.084 4.255 4.340 -0.001 0.000 0.219 165 Q C 1.499 177.570 176.000 0.119 0.000 0.981 165 Q CA 0.409 56.246 55.803 0.057 0.000 0.945 165 Q CB 0.090 28.808 28.738 -0.033 0.000 0.985 165 Q HN 0.307 nan 8.270 nan 0.000 0.542 166 S N 0.435 116.220 115.700 0.141 0.000 2.584 166 S HA -0.136 4.334 4.470 -0.001 0.000 0.240 166 S C 1.418 176.196 174.600 0.295 0.000 0.975 166 S CA 1.043 59.361 58.200 0.196 0.000 0.949 166 S CB 0.052 63.348 63.200 0.160 0.000 0.761 166 S HN 0.528 nan 8.310 nan 0.000 0.536 167 K N -0.077 120.489 120.400 0.277 0.000 2.306 167 K HA 0.255 4.574 4.320 -0.001 0.000 0.200 167 K C 1.832 178.734 176.600 0.503 0.000 1.083 167 K CA 0.282 56.809 56.287 0.400 0.000 0.959 167 K CB -0.561 32.083 32.500 0.239 0.000 0.994 167 K HN 0.303 nan 8.250 nan 0.000 0.492 168 E N 1.479 121.871 120.200 0.319 0.000 2.478 168 E HA -0.056 4.294 4.350 -0.001 0.000 0.198 168 E C 1.431 178.177 176.600 0.243 0.000 1.046 168 E CA 0.098 56.667 56.400 0.281 0.000 0.870 168 E CB 0.317 30.123 29.700 0.176 0.000 0.818 168 E HN 0.203 nan 8.360 nan 0.000 0.527 169 V N 0.154 120.181 119.914 0.188 0.000 3.217 169 V HA -0.115 4.005 4.120 -0.001 0.000 0.264 169 V C 0.773 176.822 176.094 -0.074 0.000 1.135 169 V CA 1.096 63.427 62.300 0.052 0.000 1.142 169 V CB -0.346 31.477 31.823 -0.000 0.000 0.754 169 V HN 0.388 nan 8.190 nan 0.000 0.484 170 Y N -1.910 118.532 120.300 0.237 0.000 2.476 170 Y HA 0.038 4.587 4.550 -0.001 0.000 0.283 170 Y C 1.972 177.962 175.900 0.150 0.000 1.109 170 Y CA 1.183 59.403 58.100 0.200 0.000 1.246 170 Y CB -0.170 38.428 38.460 0.229 0.000 1.068 170 Y HN 0.388 nan 8.280 nan 0.000 0.552 171 Y N 1.080 121.447 120.300 0.111 0.000 2.680 171 Y HA -0.082 4.468 4.550 -0.001 0.000 0.303 171 Y C 1.530 177.492 175.900 0.103 0.000 1.166 171 Y CA 0.732 58.845 58.100 0.022 0.000 1.344 171 Y CB -0.091 38.358 38.460 -0.017 0.000 1.002 171 Y HN 0.050 nan 8.280 nan 0.000 0.537 172 E N 0.077 120.327 120.200 0.083 0.000 2.094 172 E HA -0.008 4.342 4.350 -0.001 0.000 0.193 172 E C 2.207 178.855 176.600 0.080 0.000 0.950 172 E CA 1.094 57.574 56.400 0.134 0.000 0.842 172 E CB -0.469 29.384 29.700 0.256 0.000 0.816 172 E HN 0.495 nan 8.360 nan 0.000 0.465 173 I N -0.069 120.555 120.570 0.090 0.000 2.163 173 I HA -0.127 4.043 4.170 -0.001 0.000 0.240 173 I C 2.037 178.178 176.117 0.040 0.000 1.081 173 I CA 1.842 63.180 61.300 0.063 0.000 1.353 173 I CB -0.615 37.444 38.000 0.099 0.000 1.054 173 I HN 0.239 nan 8.210 nan 0.000 0.407 174 G N 1.149 110.022 108.800 0.121 0.000 2.626 174 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.224 174 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.224 174 G C 1.713 176.618 174.900 0.009 0.000 1.095 174 G CA 1.482 46.663 45.100 0.135 0.000 0.738 174 G HN 0.537 nan 8.290 nan 0.000 0.600 175 K N -0.074 120.256 120.400 -0.117 0.000 2.020 175 K HA 0.136 4.456 4.320 -0.001 0.000 0.206 175 K C 2.715 179.148 176.600 -0.278 0.000 1.038 175 K CA 1.027 57.191 56.287 -0.205 0.000 0.947 175 K CB -0.869 31.427 32.500 -0.339 0.000 0.744 175 K HN 0.112 nan 8.250 nan 0.000 0.442 176 G N 3.053 111.592 108.800 -0.434 0.000 2.728 176 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.224 176 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.224 176 G C 1.415 176.189 174.900 -0.210 0.000 1.123 176 G CA 1.812 46.611 45.100 -0.502 0.000 0.755 176 G HN 0.622 nan 8.290 nan 0.000 0.622 177 I N 0.924 121.432 120.570 -0.103 0.000 3.387 177 I HA 0.048 4.218 4.170 -0.001 0.000 0.298 177 I C 2.227 178.272 176.117 -0.120 0.000 1.311 177 I CA 1.075 62.343 61.300 -0.054 0.000 1.318 177 I CB -0.486 37.522 38.000 0.013 0.000 1.023 177 I HN 0.290 nan 8.210 nan 0.000 0.540 178 S N 3.066 118.631 115.700 -0.225 0.000 2.338 178 S HA 0.010 4.479 4.470 -0.001 0.000 0.197 178 S C 1.956 176.336 174.600 -0.367 0.000 0.990 178 S CA 0.470 58.442 58.200 -0.379 0.000 0.920 178 S CB -0.938 61.828 63.200 -0.723 0.000 0.903 178 S HN 0.605 nan 8.310 nan 0.000 0.542 179 L N 1.818 122.803 121.223 -0.396 0.000 2.046 179 L HA -0.051 4.289 4.340 -0.001 0.000 0.208 179 L C 2.448 179.244 176.870 -0.123 0.000 1.077 179 L CA 2.031 56.716 54.840 -0.258 0.000 0.747 179 L CB -1.685 40.244 42.059 -0.216 0.000 0.896 179 L HN 0.456 nan 8.230 nan 0.000 0.432 180 D N 1.969 122.382 120.400 0.021 0.000 2.708 180 D HA -0.407 4.233 4.640 -0.001 0.000 0.217 180 D C 2.086 178.315 176.300 -0.119 0.000 1.094 180 D CA 2.713 56.765 54.000 0.088 0.000 0.941 180 D CB -0.953 39.983 40.800 0.227 0.000 1.220 180 D HN 0.557 nan 8.370 nan 0.000 0.495 181 I N -0.418 120.107 120.570 -0.076 0.000 2.576 181 I HA -0.210 3.960 4.170 -0.001 0.000 0.263 181 I C 1.853 177.907 176.117 -0.105 0.000 1.183 181 I CA 1.150 62.400 61.300 -0.083 0.000 1.432 181 I CB -0.045 37.913 38.000 -0.069 0.000 1.100 181 I HN 0.229 nan 8.210 nan 0.000 0.452 182 I N -0.591 119.900 120.570 -0.131 0.000 4.081 182 I HA 0.117 4.287 4.170 -0.001 0.000 0.333 182 I C 1.052 177.083 176.117 -0.143 0.000 1.413 182 I CA 0.148 61.374 61.300 -0.122 0.000 1.110 182 I CB -0.135 37.793 38.000 -0.119 0.000 1.082 182 I HN 0.103 nan 8.210 nan 0.000 0.402 183 S N 0.750 116.322 115.700 -0.213 0.000 2.598 183 S HA 0.062 4.531 4.470 -0.001 0.000 0.267 183 S C 1.339 175.796 174.600 -0.237 0.000 1.189 183 S CA -0.038 58.000 58.200 -0.269 0.000 1.010 183 S CB 1.097 63.927 63.200 -0.617 0.000 1.084 183 S HN 0.238 nan 8.310 nan 0.000 0.541 184 K N 0.738 121.003 120.400 -0.224 0.000 2.520 184 K HA -0.069 4.250 4.320 -0.001 0.000 0.197 184 K C 0.997 177.531 176.600 -0.111 0.000 1.043 184 K CA 1.473 57.704 56.287 -0.094 0.000 0.944 184 K CB -0.424 32.094 32.500 0.030 0.000 0.770 184 K HN 0.479 nan 8.250 nan 0.000 0.480 185 D N -0.513 119.746 120.400 -0.235 0.000 2.340 185 D HA 0.014 4.653 4.640 -0.001 0.000 0.220 185 D C 1.067 177.300 176.300 -0.111 0.000 1.039 185 D CA 0.547 54.450 54.000 -0.162 0.000 0.866 185 D CB 0.325 41.013 40.800 -0.187 0.000 0.913 185 D HN 0.368 nan 8.370 nan 0.000 0.523 186 K N -2.115 118.222 120.400 -0.105 0.000 2.644 186 K HA -0.003 4.316 4.320 -0.001 0.000 0.156 186 K C 1.461 178.025 176.600 -0.059 0.000 1.957 186 K CA 0.415 56.658 56.287 -0.073 0.000 1.331 186 K CB -0.611 31.849 32.500 -0.065 0.000 2.145 186 K HN -0.140 nan 8.250 nan 0.000 0.574 187 S N 1.641 117.301 115.700 -0.067 0.000 2.414 187 S HA -0.089 4.380 4.470 -0.001 0.000 0.225 187 S C 1.205 175.784 174.600 -0.035 0.000 1.041 187 S CA 1.520 59.689 58.200 -0.051 0.000 1.114 187 S CB -0.672 62.494 63.200 -0.056 0.000 1.064 187 S HN 0.319 nan 8.310 nan 0.000 0.420 188 L N 0.555 121.761 121.223 -0.029 0.000 2.367 188 L HA 0.342 4.681 4.340 -0.001 0.000 0.215 188 L C 0.774 177.636 176.870 -0.014 0.000 1.197 188 L CA -0.357 54.475 54.840 -0.014 0.000 0.836 188 L CB -0.366 41.690 42.059 -0.006 0.000 1.242 188 L HN 0.323 nan 8.230 nan 0.000 0.553 189 D N -0.676 119.724 120.400 0.001 0.000 2.541 189 D HA 0.280 4.920 4.640 -0.001 0.000 0.276 189 D C -2.171 174.115 176.300 -0.024 0.000 1.190 189 D CA -1.220 52.772 54.000 -0.014 0.000 1.095 189 D CB 0.521 41.320 40.800 -0.002 0.000 1.173 189 D HN 0.316 nan 8.370 nan 0.000 0.604 190 P HA 0.007 nan 4.420 nan 0.000 0.251 190 P C -0.681 176.580 177.300 -0.065 0.000 1.624 190 P CA 0.356 63.402 63.100 -0.089 0.000 0.907 190 P CB -0.455 31.156 31.700 -0.149 0.000 1.867 191 E N -0.142 120.067 120.200 0.015 0.000 3.326 191 E HA -0.189 4.160 4.350 -0.001 0.000 0.285 191 E C 1.000 177.678 176.600 0.130 0.000 0.864 191 E CA 0.704 57.172 56.400 0.113 0.000 0.984 191 E CB 0.034 29.783 29.700 0.083 0.000 0.952 191 E HN 0.279 nan 8.360 nan 0.000 0.525 192 F N 1.497 121.408 119.950 -0.065 0.000 2.244 192 F HA -0.273 4.254 4.527 -0.001 0.000 0.301 192 F C 2.148 177.901 175.800 -0.078 0.000 1.050 192 F CA 0.888 58.846 58.000 -0.071 0.000 1.345 192 F CB -0.513 38.456 39.000 -0.051 0.000 1.070 192 F HN 0.431 nan 8.300 nan 0.000 0.519 193 L N -0.588 120.705 121.223 0.118 0.000 2.042 193 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 193 L C 2.458 179.268 176.870 -0.101 0.000 1.076 193 L CA 1.799 56.661 54.840 0.037 0.000 0.749 193 L CB -0.559 41.551 42.059 0.086 0.000 0.893 193 L HN 0.255 nan 8.230 nan 0.000 0.432 194 N N -0.148 118.478 118.700 -0.125 0.000 2.388 194 N HA -0.064 4.676 4.740 -0.001 0.000 0.176 194 N C 1.800 177.160 175.510 -0.251 0.000 1.062 194 N CA 0.229 53.131 53.050 -0.245 0.000 0.895 194 N CB 0.430 38.817 38.487 -0.167 0.000 1.018 194 N HN 0.136 nan 8.380 nan 0.000 0.456 195 L N 1.242 122.322 121.223 -0.237 0.000 2.191 195 L HA 0.092 4.432 4.340 -0.001 0.000 0.212 195 L C 1.857 178.549 176.870 -0.296 0.000 1.103 195 L CA 1.085 55.719 54.840 -0.343 0.000 0.769 195 L CB -0.100 41.666 42.059 -0.488 0.000 0.908 195 L HN 0.180 nan 8.230 nan 0.000 0.438 196 I N -2.104 118.348 120.570 -0.196 0.000 3.783 196 I HA -0.029 4.140 4.170 -0.001 0.000 0.310 196 I C 1.803 177.853 176.117 -0.112 0.000 1.274 196 I CA 0.008 61.234 61.300 -0.123 0.000 1.294 196 I CB -0.118 37.858 38.000 -0.041 0.000 1.051 196 I HN 0.010 nan 8.210 nan 0.000 0.435 197 K N 0.353 120.652 120.400 -0.170 0.000 2.305 197 K HA 0.099 4.419 4.320 -0.001 0.000 0.199 197 K C 2.033 178.575 176.600 -0.098 0.000 1.047 197 K CA 0.594 56.774 56.287 -0.177 0.000 0.976 197 K CB 0.152 32.417 32.500 -0.392 0.000 0.765 197 K HN 0.058 nan 8.250 nan 0.000 0.474 198 S N 0.432 116.047 115.700 -0.141 0.000 2.528 198 S HA 0.139 4.609 4.470 -0.001 0.000 0.219 198 S C 1.571 176.159 174.600 -0.019 0.000 0.985 198 S CA -0.002 58.140 58.200 -0.097 0.000 0.914 198 S CB 0.162 63.095 63.200 -0.444 0.000 0.776 198 S HN 0.189 nan 8.310 nan 0.000 0.526 199 L N 1.130 122.330 121.223 -0.039 0.000 2.558 199 L HA 0.204 4.544 4.340 -0.001 0.000 0.225 199 L C 1.828 178.750 176.870 0.086 0.000 1.128 199 L CA 0.347 55.194 54.840 0.012 0.000 0.868 199 L CB -0.091 41.950 42.059 -0.029 0.000 1.006 199 L HN 0.268 nan 8.230 nan 0.000 0.454 200 S N -0.438 115.323 115.700 0.103 0.000 3.009 200 S HA -0.115 4.355 4.470 -0.001 0.000 0.243 200 S C 1.140 175.900 174.600 0.267 0.000 1.012 200 S CA 0.247 58.528 58.200 0.134 0.000 1.113 200 S CB -0.365 62.898 63.200 0.105 0.000 0.827 200 S HN 0.374 nan 8.310 nan 0.000 0.495 201 D N 1.961 122.558 120.400 0.328 0.000 2.110 201 D HA -0.028 4.612 4.640 -0.001 0.000 0.202 201 D C 0.287 176.872 176.300 0.474 0.000 0.975 201 D CA 1.506 55.875 54.000 0.616 0.000 0.839 201 D CB 0.223 41.261 40.800 0.398 0.000 0.996 201 D HN 0.726 nan 8.370 nan 0.000 0.464 202 D N -2.306 118.235 120.400 0.236 0.000 4.099 202 D HA 0.109 4.748 4.640 -0.001 0.000 0.262 202 D C 0.071 176.414 176.300 0.071 0.000 1.445 202 D CA 0.188 54.255 54.000 0.112 0.000 0.779 202 D CB -0.274 40.598 40.800 0.121 0.000 1.348 202 D HN 0.072 nan 8.370 nan 0.000 0.803 203 S N -1.701 114.038 115.700 0.064 0.000 3.084 203 S HA 0.089 4.559 4.470 -0.001 0.000 0.262 203 S C 1.104 175.720 174.600 0.028 0.000 1.081 203 S CA -0.049 58.175 58.200 0.041 0.000 0.855 203 S CB 0.254 63.479 63.200 0.042 0.000 0.857 203 S HN 0.016 nan 8.310 nan 0.000 0.449 204 D N 2.399 122.818 120.400 0.031 0.000 2.098 204 D HA 0.065 4.705 4.640 -0.001 0.000 0.207 204 D C 1.010 177.319 176.300 0.015 0.000 0.979 204 D CA 1.351 55.365 54.000 0.023 0.000 0.878 204 D CB -0.374 40.442 40.800 0.027 0.000 1.028 204 D HN 0.443 nan 8.370 nan 0.000 0.452 205 S N -1.078 114.629 115.700 0.012 0.000 2.690 205 S HA 0.174 4.644 4.470 -0.001 0.000 0.291 205 S C 0.703 175.294 174.600 -0.015 0.000 1.138 205 S CA -0.560 57.640 58.200 0.001 0.000 1.013 205 S CB 1.602 64.803 63.200 0.003 0.000 1.053 205 S HN -0.004 nan 8.310 nan 0.000 0.539 206 S N 1.810 117.496 115.700 -0.024 0.000 2.711 206 S HA 0.023 4.492 4.470 -0.001 0.000 0.237 206 S C -0.299 174.262 174.600 -0.066 0.000 0.971 206 S CA 0.385 58.561 58.200 -0.040 0.000 0.964 206 S CB -0.493 62.685 63.200 -0.036 0.000 0.775 206 S HN 0.543 nan 8.310 nan 0.000 0.540 207 D N 1.859 122.219 120.400 -0.067 0.000 2.557 207 D HA 0.190 4.830 4.640 -0.001 0.000 0.236 207 D C -0.580 175.632 176.300 -0.148 0.000 1.154 207 D CA -0.199 53.738 54.000 -0.105 0.000 0.985 207 D CB 0.726 41.480 40.800 -0.077 0.000 1.010 207 D HN 0.151 nan 8.370 nan 0.000 0.516 208 L N 2.069 123.170 121.223 -0.204 0.000 2.873 208 L HA 0.162 4.501 4.340 -0.001 0.000 0.236 208 L C -0.078 176.430 176.870 -0.603 0.000 1.375 208 L CA 0.009 54.650 54.840 -0.332 0.000 1.239 208 L CB -0.436 41.486 42.059 -0.229 0.000 1.603 208 L HN 0.126 nan 8.230 nan 0.000 0.430 209 L N 1.285 122.199 121.223 -0.515 0.000 2.319 209 L HA 0.574 4.914 4.340 -0.001 0.000 0.281 209 L C -0.570 176.104 176.870 -0.327 0.000 1.005 209 L CA -0.223 54.316 54.840 -0.502 0.000 0.828 209 L CB 0.946 42.767 42.059 -0.397 0.000 1.227 209 L HN 0.249 nan 8.230 nan 0.000 0.415 210 F N 1.490 121.435 119.950 -0.009 0.000 2.455 210 F HA 0.296 4.822 4.527 -0.001 0.000 0.365 210 F C 0.388 176.204 175.800 0.026 0.000 1.365 210 F CA -0.714 57.282 58.000 -0.007 0.000 1.038 210 F CB -1.039 37.982 39.000 0.036 0.000 1.408 210 F HN 0.341 nan 8.300 nan 0.000 0.498 211 S N 1.798 117.688 115.700 0.315 0.000 2.967 211 S HA 0.109 4.579 4.470 -0.001 0.000 0.254 211 S C 0.920 175.635 174.600 0.192 0.000 1.089 211 S CA 0.771 59.130 58.200 0.265 0.000 1.183 211 S CB -0.476 62.832 63.200 0.180 0.000 0.848 211 S HN 0.730 nan 8.310 nan 0.000 0.477 212 Q N -0.061 119.814 119.800 0.125 0.000 2.040 212 Q HA 0.254 4.593 4.340 -0.001 0.000 0.212 212 Q C 0.577 176.522 176.000 -0.092 0.000 0.766 212 Q CA -0.361 55.436 55.803 -0.011 0.000 0.967 212 Q CB -0.007 28.671 28.738 -0.101 0.000 1.202 212 Q HN 0.590 nan 8.270 nan 0.000 0.446 213 K N -0.614 119.726 120.400 -0.101 0.000 2.552 213 K HA 0.258 4.578 4.320 -0.001 0.000 0.196 213 K C -0.347 176.217 176.600 -0.060 0.000 1.785 213 K CA -0.325 55.838 56.287 -0.206 0.000 1.076 213 K CB 0.386 32.598 32.500 -0.479 0.000 1.559 213 K HN 0.036 nan 8.250 nan 0.000 0.591 214 F N 2.148 122.072 119.950 -0.042 0.000 2.531 214 F HA 0.391 4.918 4.527 -0.001 0.000 0.333 214 F C 0.976 176.733 175.800 -0.072 0.000 1.292 214 F CA -1.026 56.867 58.000 -0.179 0.000 1.184 214 F CB 1.431 40.078 39.000 -0.587 0.000 1.426 214 F HN -0.074 nan 8.300 nan 0.000 0.559 215 K N 1.539 122.036 120.400 0.161 0.000 2.161 215 K HA -0.010 4.310 4.320 -0.001 0.000 0.205 215 K C 1.770 178.412 176.600 0.070 0.000 1.035 215 K CA 1.470 57.829 56.287 0.121 0.000 0.970 215 K CB 0.151 32.708 32.500 0.095 0.000 0.866 215 K HN 0.527 nan 8.250 nan 0.000 0.461 216 E N -0.391 119.833 120.200 0.040 0.000 2.110 216 E HA 0.013 4.362 4.350 -0.001 0.000 0.193 216 E C 1.227 177.814 176.600 -0.021 0.000 0.950 216 E CA 0.243 56.649 56.400 0.010 0.000 0.840 216 E CB -0.143 29.558 29.700 0.003 0.000 0.809 216 E HN -0.046 nan 8.360 nan 0.000 0.465 217 K N 0.478 120.856 120.400 -0.036 0.000 2.525 217 K HA 0.090 4.410 4.320 -0.001 0.000 0.192 217 K C 0.475 176.972 176.600 -0.173 0.000 1.029 217 K CA 0.217 56.451 56.287 -0.088 0.000 1.029 217 K CB 0.507 32.950 32.500 -0.095 0.000 0.814 217 K HN 0.169 nan 8.250 nan 0.000 0.503 218 L N 0.766 121.889 121.223 -0.167 0.000 3.035 218 L HA 0.069 4.409 4.340 -0.001 0.000 0.338 218 L C 0.285 177.061 176.870 -0.158 0.000 1.292 218 L CA 0.220 54.890 54.840 -0.284 0.000 0.764 218 L CB 0.202 41.779 42.059 -0.803 0.000 1.187 218 L HN 0.097 nan 8.230 nan 0.000 0.574 219 E N -0.763 119.414 120.200 -0.038 0.000 2.437 219 E HA 0.040 4.390 4.350 -0.001 0.000 0.189 219 E C 0.430 177.048 176.600 0.030 0.000 1.054 219 E CA -0.356 56.080 56.400 0.059 0.000 0.874 219 E CB 0.249 29.986 29.700 0.062 0.000 1.011 219 E HN 0.318 nan 8.360 nan 0.000 0.474 220 L N 2.384 123.582 121.223 -0.040 0.000 2.480 220 L HA 0.187 4.527 4.340 -0.001 0.000 0.243 220 L C 0.457 177.317 176.870 -0.016 0.000 1.315 220 L CA -0.077 54.720 54.840 -0.072 0.000 1.231 220 L CB -0.460 41.491 42.059 -0.180 0.000 1.444 220 L HN 0.026 nan 8.230 nan 0.000 0.409 221 N N 0.868 119.605 118.700 0.062 0.000 2.270 221 N HA -0.039 4.701 4.740 -0.001 0.000 0.181 221 N C 0.062 175.609 175.510 0.060 0.000 1.016 221 N CA 0.667 53.792 53.050 0.125 0.000 0.870 221 N CB 0.050 38.634 38.487 0.160 0.000 0.979 221 N HN 0.569 nan 8.380 nan 0.000 0.431 222 N N 1.916 120.625 118.700 0.016 0.000 3.111 222 N HA 0.017 4.757 4.740 -0.001 0.000 0.302 222 N C -0.351 175.134 175.510 -0.042 0.000 1.317 222 N CA 0.451 53.497 53.050 -0.007 0.000 1.151 222 N CB 0.244 38.722 38.487 -0.015 0.000 1.456 222 N HN 0.012 nan 8.380 nan 0.000 0.547 223 K N 0.727 121.108 120.400 -0.032 0.000 2.690 223 K HA 0.092 4.412 4.320 -0.001 0.000 0.305 223 K C -1.079 175.541 176.600 0.034 0.000 1.200 223 K CA -0.216 56.031 56.287 -0.067 0.000 1.071 223 K CB 0.762 33.113 32.500 -0.249 0.000 1.366 223 K HN -0.055 nan 8.250 nan 0.000 0.513 224 S N 4.306 120.037 115.700 0.051 0.000 2.589 224 S HA 0.104 4.574 4.470 -0.001 0.000 0.306 224 S C 0.863 175.549 174.600 0.144 0.000 1.221 224 S CA 0.021 58.269 58.200 0.079 0.000 1.159 224 S CB -0.421 62.807 63.200 0.047 0.000 0.990 224 S HN 0.341 nan 8.310 nan 0.000 0.514 225 I N 3.782 124.456 120.570 0.173 0.000 2.311 225 I HA 0.176 4.345 4.170 -0.001 0.000 0.297 225 I C 0.685 176.767 176.117 -0.058 0.000 1.131 225 I CA -0.065 61.340 61.300 0.175 0.000 1.289 225 I CB 0.043 38.135 38.000 0.152 0.000 1.446 225 I HN 0.528 nan 8.210 nan 0.000 0.524 226 D N 4.742 125.096 120.400 -0.076 0.000 3.577 226 D HA 0.369 5.009 4.640 -0.001 0.000 0.195 226 D C 0.808 176.979 176.300 -0.216 0.000 1.366 226 D CA -0.252 53.644 54.000 -0.173 0.000 1.184 226 D CB 0.602 41.334 40.800 -0.115 0.000 1.206 226 D HN 0.268 nan 8.370 nan 0.000 0.525 227 I N 1.401 121.868 120.570 -0.172 0.000 3.752 227 I HA 0.152 4.321 4.170 -0.001 0.000 0.313 227 I C 0.272 176.355 176.117 -0.057 0.000 1.304 227 I CA 0.229 61.439 61.300 -0.149 0.000 1.171 227 I CB -0.478 37.441 38.000 -0.134 0.000 1.038 227 I HN 0.031 nan 8.210 nan 0.000 0.427 228 N N 0.984 119.684 118.700 0.000 0.000 2.251 228 N HA 0.127 4.867 4.740 -0.001 0.000 0.217 228 N C 0.362 176.031 175.510 0.265 0.000 1.124 228 N CA 0.104 53.216 53.050 0.103 0.000 0.843 228 N CB 0.324 38.878 38.487 0.111 0.000 1.024 228 N HN 0.520 nan 8.380 nan 0.000 0.501 229 F N -3.728 116.207 119.950 -0.026 0.000 3.420 229 F HA 0.145 4.672 4.527 -0.001 0.000 0.397 229 F C 0.394 176.219 175.800 0.041 0.000 1.046 229 F CA -0.400 57.600 58.000 0.001 0.000 0.627 229 F CB -0.796 38.204 39.000 0.000 0.000 1.938 229 F HN -0.077 nan 8.300 nan 0.000 0.424 230 I N 2.225 122.431 120.570 -0.606 0.000 2.361 230 I HA -0.209 3.961 4.170 -0.001 0.000 0.251 230 I C 1.994 178.017 176.117 -0.157 0.000 1.133 230 I CA 1.767 62.756 61.300 -0.520 0.000 1.413 230 I CB -0.128 37.517 38.000 -0.591 0.000 1.073 230 I HN 0.286 nan 8.210 nan 0.000 0.424 231 K N 0.344 120.676 120.400 -0.114 0.000 2.103 231 K HA -0.265 4.055 4.320 -0.001 0.000 0.207 231 K C 1.830 178.437 176.600 0.012 0.000 1.048 231 K CA 1.672 57.936 56.287 -0.039 0.000 0.930 231 K CB -0.262 32.221 32.500 -0.027 0.000 0.716 231 K HN 0.314 nan 8.250 nan 0.000 0.444 232 E N 1.903 122.126 120.200 0.039 0.000 2.012 232 E HA -0.183 4.166 4.350 -0.001 0.000 0.211 232 E C 0.298 176.935 176.600 0.062 0.000 1.029 232 E CA 1.481 57.929 56.400 0.079 0.000 0.867 232 E CB -0.025 29.779 29.700 0.173 0.000 0.790 232 E HN 0.153 nan 8.360 nan 0.000 0.482 233 N N 1.491 120.228 118.700 0.061 0.000 3.331 233 N HA 0.072 4.812 4.740 -0.001 0.000 0.303 233 N C 0.986 176.491 175.510 -0.008 0.000 1.326 233 N CA 0.143 53.187 53.050 -0.010 0.000 1.207 233 N CB 0.249 38.679 38.487 -0.095 0.000 1.477 233 N HN 0.374 nan 8.380 nan 0.000 0.541 234 L N -0.856 120.405 121.223 0.064 0.000 2.043 234 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 234 L C 2.215 179.116 176.870 0.051 0.000 1.075 234 L CA 1.745 56.649 54.840 0.107 0.000 0.752 234 L CB -1.647 40.439 42.059 0.045 0.000 0.891 234 L HN 0.141 nan 8.230 nan 0.000 0.432 235 T N -2.911 111.632 114.554 -0.018 0.000 2.803 235 T HA -0.238 4.111 4.350 -0.001 0.000 0.269 235 T C 1.763 176.359 174.700 -0.174 0.000 1.052 235 T CA 1.483 63.520 62.100 -0.105 0.000 1.136 235 T CB -0.537 68.293 68.868 -0.062 0.000 0.864 235 T HN 0.607 nan 8.240 nan 0.000 0.467 236 E N 0.333 120.482 120.200 -0.084 0.000 2.051 236 E HA -0.097 4.253 4.350 -0.001 0.000 0.192 236 E C 1.154 177.719 176.600 -0.059 0.000 0.991 236 E CA 0.981 57.356 56.400 -0.041 0.000 0.799 236 E CB -0.192 29.291 29.700 -0.362 0.000 0.748 236 E HN 0.631 nan 8.360 nan 0.000 0.449 237 F N 1.098 121.132 119.950 0.140 0.000 2.805 237 F HA 0.042 4.569 4.527 -0.001 0.000 0.301 237 F C 2.151 178.044 175.800 0.155 0.000 1.196 237 F CA 0.497 58.611 58.000 0.190 0.000 1.439 237 F CB -0.019 39.030 39.000 0.081 0.000 1.117 237 F HN 0.064 nan 8.300 nan 0.000 0.581 238 Q N -1.133 118.756 119.800 0.149 0.000 2.274 238 Q HA -0.034 4.306 4.340 -0.001 0.000 0.198 238 Q C 1.810 177.866 176.000 0.095 0.000 0.955 238 Q CA 0.451 56.307 55.803 0.088 0.000 0.859 238 Q CB -0.158 28.519 28.738 -0.101 0.000 0.956 238 Q HN 0.427 nan 8.270 nan 0.000 0.516 239 H N 0.242 119.402 119.070 0.150 0.000 2.541 239 H HA -0.054 4.502 4.556 -0.001 0.000 0.289 239 H C 1.626 177.020 175.328 0.111 0.000 1.054 239 H CA 1.262 57.382 56.048 0.120 0.000 1.250 239 H CB 0.085 29.905 29.762 0.096 0.000 1.369 239 H HN 0.295 nan 8.280 nan 0.000 0.578 240 A N 0.322 123.294 122.820 0.252 0.000 1.911 240 A HA -0.039 4.281 4.320 -0.001 0.000 0.212 240 A C 1.981 179.693 177.584 0.214 0.000 1.189 240 A CA 0.165 52.307 52.037 0.175 0.000 0.639 240 A CB -0.565 18.597 19.000 0.271 0.000 0.839 240 A HN 0.277 nan 8.150 nan 0.000 0.449 241 F N 1.150 121.198 119.950 0.164 0.000 2.661 241 F HA 0.030 4.556 4.527 -0.001 0.000 0.298 241 F C 2.059 177.969 175.800 0.183 0.000 1.137 241 F CA 1.099 59.212 58.000 0.188 0.000 1.454 241 F CB 0.113 39.216 39.000 0.172 0.000 1.103 241 F HN 0.182 nan 8.300 nan 0.000 0.577 242 S N 0.418 116.171 115.700 0.089 0.000 2.324 242 S HA 0.037 4.506 4.470 -0.001 0.000 0.210 242 S C 1.803 176.463 174.600 0.101 0.000 1.027 242 S CA 0.727 58.954 58.200 0.045 0.000 0.945 242 S CB -0.601 62.659 63.200 0.100 0.000 0.908 242 S HN 0.282 nan 8.310 nan 0.000 0.496 243 L N 1.498 122.790 121.223 0.114 0.000 2.642 243 L HA -0.013 4.327 4.340 -0.001 0.000 0.236 243 L C 2.165 179.104 176.870 0.114 0.000 1.169 243 L CA 0.564 55.480 54.840 0.127 0.000 0.851 243 L CB -0.596 41.499 42.059 0.060 0.000 0.968 243 L HN 0.332 nan 8.230 nan 0.000 0.453 244 A N -0.551 122.307 122.820 0.064 0.000 1.942 244 A HA -0.047 4.272 4.320 -0.001 0.000 0.209 244 A C 1.981 179.590 177.584 0.042 0.000 1.214 244 A CA 0.100 52.159 52.037 0.037 0.000 0.686 244 A CB -0.426 18.583 19.000 0.015 0.000 0.871 244 A HN 0.306 nan 8.150 nan 0.000 0.460 245 F N 2.436 122.252 119.950 -0.223 0.000 2.102 245 F HA -0.201 4.325 4.527 -0.001 0.000 0.298 245 F C 2.672 178.436 175.800 -0.061 0.000 1.105 245 F CA 2.134 59.958 58.000 -0.292 0.000 1.239 245 F CB -0.279 38.506 39.000 -0.358 0.000 0.991 245 F HN 0.294 nan 8.300 nan 0.000 0.474 246 S N -0.855 115.053 115.700 0.347 0.000 2.400 246 S HA -0.256 4.213 4.470 -0.001 0.000 0.232 246 S C 1.891 176.650 174.600 0.266 0.000 1.025 246 S CA 1.335 59.725 58.200 0.316 0.000 0.993 246 S CB -1.245 62.115 63.200 0.266 0.000 0.808 246 S HN 0.498 nan 8.310 nan 0.000 0.478 247 Y N 0.242 120.628 120.300 0.145 0.000 2.201 247 Y HA 0.133 4.682 4.550 -0.001 0.000 0.292 247 Y C 2.412 178.419 175.900 0.180 0.000 1.119 247 Y CA 0.645 58.891 58.100 0.243 0.000 1.127 247 Y CB -1.086 37.451 38.460 0.129 0.000 1.019 247 Y HN 0.329 nan 8.280 nan 0.000 0.514 248 Y N -0.827 119.488 120.300 0.024 0.000 2.151 248 Y HA -0.327 4.223 4.550 -0.001 0.000 0.284 248 Y C 1.627 177.452 175.900 -0.124 0.000 1.166 248 Y CA 1.613 59.627 58.100 -0.143 0.000 1.163 248 Y CB -0.434 37.742 38.460 -0.472 0.000 0.974 248 Y HN 0.072 nan 8.280 nan 0.000 0.511 249 F N 0.064 120.060 119.950 0.077 0.000 2.776 249 F HA 0.268 4.794 4.527 -0.001 0.000 0.300 249 F C 1.482 177.256 175.800 -0.044 0.000 1.116 249 F CA -0.476 57.481 58.000 -0.071 0.000 1.375 249 F CB -0.084 38.680 39.000 -0.393 0.000 1.109 249 F HN -0.007 nan 8.300 nan 0.000 0.585 250 A N 2.263 125.141 122.820 0.098 0.000 2.555 250 A HA 0.004 4.324 4.320 -0.001 0.000 0.233 250 A C -1.282 176.227 177.584 -0.125 0.000 1.060 250 A CA -0.836 51.130 52.037 -0.117 0.000 0.759 250 A CB -0.391 18.291 19.000 -0.530 0.000 0.995 250 A HN 0.058 nan 8.150 nan 0.000 0.506 251 P HA -0.057 nan 4.420 nan 0.000 0.242 251 P C -0.053 177.170 177.300 -0.129 0.000 1.197 251 P CA 1.327 64.376 63.100 -0.085 0.000 0.765 251 P CB 0.284 31.956 31.700 -0.046 0.000 0.936 252 D N -0.410 119.829 120.400 -0.269 0.000 3.165 252 D HA -0.052 4.587 4.640 -0.001 0.000 0.264 252 D C 0.421 176.605 176.300 -0.194 0.000 1.363 252 D CA 0.296 54.166 54.000 -0.218 0.000 1.166 252 D CB -1.183 39.498 40.800 -0.199 0.000 1.291 252 D HN 0.246 nan 8.370 nan 0.000 0.390 253 H N 1.402 120.397 119.070 -0.125 0.000 2.982 253 H HA 0.454 5.009 4.556 -0.001 0.000 0.261 253 H C 1.257 176.543 175.328 -0.070 0.000 1.603 253 H CA -0.573 55.397 56.048 -0.131 0.000 1.398 253 H CB 0.479 30.086 29.762 -0.259 0.000 1.693 253 H HN 0.036 nan 8.280 nan 0.000 0.535 254 R N 1.528 122.061 120.500 0.056 0.000 2.175 254 R HA -0.016 4.323 4.340 -0.001 0.000 0.202 254 R C 0.532 176.838 176.300 0.010 0.000 1.018 254 R CA 1.079 57.213 56.100 0.056 0.000 1.029 254 R CB -1.107 29.202 30.300 0.016 0.000 0.959 254 R HN 0.535 nan 8.270 nan 0.000 0.480 255 T N -0.586 113.959 114.554 -0.015 0.000 3.081 255 T HA 0.133 4.483 4.350 -0.001 0.000 0.255 255 T C 1.834 176.523 174.700 -0.018 0.000 1.113 255 T CA 0.370 62.414 62.100 -0.093 0.000 1.082 255 T CB -0.076 68.733 68.868 -0.098 0.000 0.939 255 T HN -0.046 nan 8.240 nan 0.000 0.506 256 V N 1.212 121.183 119.914 0.095 0.000 3.078 256 V HA 0.071 4.191 4.120 -0.001 0.000 0.265 256 V C 1.992 178.152 176.094 0.109 0.000 1.122 256 V CA 0.941 63.307 62.300 0.109 0.000 1.141 256 V CB -0.581 31.364 31.823 0.203 0.000 0.735 256 V HN 0.429 nan 8.190 nan 0.000 0.498 257 L N -0.576 120.730 121.223 0.138 0.000 2.640 257 L HA 0.280 4.620 4.340 -0.001 0.000 0.230 257 L C 1.713 178.625 176.870 0.070 0.000 1.123 257 L CA 1.147 56.054 54.840 0.112 0.000 0.900 257 L CB 0.033 42.215 42.059 0.204 0.000 1.146 257 L HN 0.306 nan 8.230 nan 0.000 0.484 258 E N -1.560 118.581 120.200 -0.098 0.000 2.473 258 E HA 0.016 4.365 4.350 -0.001 0.000 0.204 258 E C 1.422 177.908 176.600 -0.189 0.000 0.994 258 E CA 0.211 56.387 56.400 -0.373 0.000 0.945 258 E CB 0.466 29.671 29.700 -0.824 0.000 0.990 258 E HN 0.450 nan 8.360 nan 0.000 0.493 259 L N -0.753 120.442 121.223 -0.047 0.000 2.590 259 L HA 0.178 4.517 4.340 -0.001 0.000 0.181 259 L C 1.285 178.214 176.870 0.099 0.000 1.134 259 L CA 0.701 55.556 54.840 0.025 0.000 0.850 259 L CB -0.317 41.789 42.059 0.079 0.000 1.172 259 L HN 0.038 nan 8.230 nan 0.000 0.498 260 Y N 0.788 121.055 120.300 -0.054 0.000 2.680 260 Y HA 0.382 4.931 4.550 -0.001 0.000 0.303 260 Y C 0.654 176.523 175.900 -0.051 0.000 1.166 260 Y CA 0.150 58.216 58.100 -0.057 0.000 1.344 260 Y CB -0.510 37.908 38.460 -0.070 0.000 1.002 260 Y HN 0.215 nan 8.280 nan 0.000 0.537 261 A N -0.100 122.773 122.820 0.089 0.000 2.393 261 A HA 0.521 4.841 4.320 -0.001 0.000 0.306 261 A C -2.009 175.615 177.584 0.067 0.000 1.050 261 A CA -1.280 50.800 52.037 0.072 0.000 0.724 261 A CB 1.446 20.501 19.000 0.091 0.000 1.248 261 A HN -0.030 nan 8.150 nan 0.000 0.424 262 P HA 0.037 nan 4.420 nan 0.000 0.215 262 P C 0.278 177.650 177.300 0.119 0.000 1.144 262 P CA 1.022 64.162 63.100 0.066 0.000 0.874 262 P CB 0.786 32.510 31.700 0.040 0.000 0.796 263 D N -1.542 118.932 120.400 0.124 0.000 2.716 263 D HA 0.072 4.712 4.640 -0.001 0.000 0.273 263 D C 1.957 178.368 176.300 0.184 0.000 1.024 263 D CA 0.272 54.356 54.000 0.139 0.000 0.944 263 D CB 0.142 40.988 40.800 0.078 0.000 1.186 263 D HN -0.263 nan 8.370 nan 0.000 0.485 264 M N 0.902 120.604 119.600 0.169 0.000 2.324 264 M HA -0.197 4.283 4.480 -0.001 0.000 0.255 264 M C 1.982 178.438 176.300 0.261 0.000 1.088 264 M CA 0.981 56.420 55.300 0.230 0.000 1.048 264 M CB -1.215 31.487 32.600 0.171 0.000 1.383 264 M HN 0.161 nan 8.290 nan 0.000 0.418 265 F N 1.327 121.341 119.950 0.106 0.000 2.074 265 F HA -0.149 4.378 4.527 -0.001 0.000 0.293 265 F C 2.232 178.098 175.800 0.111 0.000 1.116 265 F CA 1.922 59.955 58.000 0.054 0.000 1.212 265 F CB -0.657 38.320 39.000 -0.039 0.000 0.998 265 F HN 0.103 nan 8.300 nan 0.000 0.471 266 E N -0.743 119.388 120.200 -0.114 0.000 2.333 266 E HA -0.253 4.096 4.350 -0.001 0.000 0.200 266 E C 1.830 178.394 176.600 -0.061 0.000 1.010 266 E CA 1.390 57.679 56.400 -0.185 0.000 0.841 266 E CB -0.681 29.068 29.700 0.081 0.000 0.757 266 E HN 0.634 nan 8.360 nan 0.000 0.508 267 Y N 0.026 120.265 120.300 -0.102 0.000 2.159 267 Y HA -0.054 4.496 4.550 -0.001 0.000 0.285 267 Y C 1.887 177.717 175.900 -0.116 0.000 1.106 267 Y CA 1.553 59.620 58.100 -0.055 0.000 1.095 267 Y CB -0.501 37.978 38.460 0.032 0.000 1.015 267 Y HN 0.001 nan 8.280 nan 0.000 0.491 268 M N 0.856 120.365 119.600 -0.152 0.000 2.255 268 M HA -0.272 4.207 4.480 -0.001 0.000 0.259 268 M C 1.872 177.873 176.300 -0.499 0.000 1.071 268 M CA 1.492 56.543 55.300 -0.415 0.000 1.074 268 M CB -1.454 31.003 32.600 -0.238 0.000 1.384 268 M HN 0.462 nan 8.290 nan 0.000 0.415 269 N N 1.095 119.689 118.700 -0.176 0.000 2.092 269 N HA -0.164 4.576 4.740 -0.001 0.000 0.189 269 N C 1.641 177.008 175.510 -0.237 0.000 1.040 269 N CA 1.456 54.429 53.050 -0.129 0.000 0.845 269 N CB -0.048 38.163 38.487 -0.460 0.000 1.017 269 N HN 0.183 nan 8.380 nan 0.000 0.426 270 K N 1.241 121.507 120.400 -0.224 0.000 2.160 270 K HA -0.033 4.286 4.320 -0.001 0.000 0.206 270 K C 2.208 178.619 176.600 -0.316 0.000 1.047 270 K CA 0.807 56.982 56.287 -0.186 0.000 0.930 270 K CB -0.387 32.057 32.500 -0.094 0.000 0.720 270 K HN 0.214 nan 8.250 nan 0.000 0.450 271 L N 0.273 121.179 121.223 -0.530 0.000 1.955 271 L HA -0.226 4.114 4.340 -0.001 0.000 0.213 271 L C 2.613 178.964 176.870 -0.865 0.000 1.072 271 L CA 2.111 56.409 54.840 -0.903 0.000 0.755 271 L CB -0.591 40.708 42.059 -1.267 0.000 0.888 271 L HN 0.418 nan 8.230 nan 0.000 0.432 272 E N 0.181 120.007 120.200 -0.625 0.000 2.204 272 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 272 E C 2.142 178.655 176.600 -0.144 0.000 0.989 272 E CA 0.819 57.066 56.400 -0.255 0.000 0.824 272 E CB 0.187 29.833 29.700 -0.090 0.000 0.756 272 E HN 0.351 nan 8.360 nan 0.000 0.477 273 K N -1.177 119.126 120.400 -0.162 0.000 2.074 273 K HA -0.157 4.163 4.320 -0.001 0.000 0.209 273 K C 1.626 178.183 176.600 -0.072 0.000 1.048 273 K CA 1.401 57.635 56.287 -0.088 0.000 0.926 273 K CB 0.004 32.451 32.500 -0.088 0.000 0.713 273 K HN 0.286 nan 8.250 nan 0.000 0.444 274 G N -1.815 106.917 108.800 -0.113 0.000 4.251 274 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.147 274 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.147 274 G C 1.161 176.018 174.900 -0.072 0.000 1.014 274 G CA 0.233 45.296 45.100 -0.062 0.000 0.831 274 G HN 0.312 nan 8.290 nan 0.000 0.539 275 G N 1.262 109.953 108.800 -0.182 0.000 2.597 275 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.222 275 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.222 275 G C 1.538 176.450 174.900 0.021 0.000 1.135 275 G CA 1.393 46.390 45.100 -0.172 0.000 0.759 275 G HN 0.451 nan 8.290 nan 0.000 0.595 276 F N 0.247 120.199 119.950 0.004 0.000 2.325 276 F HA 0.091 4.617 4.527 -0.001 0.000 0.299 276 F C 2.599 178.407 175.800 0.013 0.000 1.090 276 F CA 0.821 58.838 58.000 0.028 0.000 1.392 276 F CB 0.142 39.175 39.000 0.056 0.000 1.053 276 F HN 0.233 nan 8.300 nan 0.000 0.521 277 E N 0.845 121.150 120.200 0.175 0.000 2.371 277 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 277 E C 1.749 178.389 176.600 0.067 0.000 1.012 277 E CA 0.297 56.755 56.400 0.098 0.000 0.860 277 E CB 0.233 29.969 29.700 0.061 0.000 0.811 277 E HN 0.389 nan 8.360 nan 0.000 0.502 278 K N 0.827 121.268 120.400 0.068 0.000 1.965 278 K HA -0.103 4.217 4.320 -0.001 0.000 0.214 278 K C 2.010 178.636 176.600 0.043 0.000 1.042 278 K CA 1.461 57.774 56.287 0.043 0.000 0.950 278 K CB -0.266 32.254 32.500 0.034 0.000 0.733 278 K HN 0.199 nan 8.250 nan 0.000 0.441 279 I N 0.886 121.491 120.570 0.059 0.000 2.850 279 I HA -0.126 4.044 4.170 -0.001 0.000 0.266 279 I C 2.015 178.150 176.117 0.030 0.000 1.257 279 I CA 1.150 62.473 61.300 0.038 0.000 1.465 279 I CB -1.402 36.622 38.000 0.041 0.000 1.091 279 I HN 0.076 nan 8.210 nan 0.000 0.467 280 S N 0.350 116.078 115.700 0.047 0.000 2.603 280 S HA 0.007 4.477 4.470 -0.001 0.000 0.220 280 S C 1.487 176.099 174.600 0.020 0.000 0.967 280 S CA 0.427 58.647 58.200 0.033 0.000 0.920 280 S CB 0.019 63.249 63.200 0.050 0.000 0.773 280 S HN 0.439 nan 8.310 nan 0.000 0.529 281 E N 0.075 120.286 120.200 0.019 0.000 2.500 281 E HA 0.120 4.469 4.350 -0.001 0.000 0.217 281 E C 1.686 178.289 176.600 0.004 0.000 0.848 281 E CA 0.702 57.108 56.400 0.010 0.000 1.217 281 E CB 0.347 30.055 29.700 0.012 0.000 1.217 281 E HN 0.590 nan 8.360 nan 0.000 0.573 282 S N 0.072 115.775 115.700 0.004 0.000 2.501 282 S HA 0.044 4.514 4.470 -0.001 0.000 0.220 282 S C 1.778 176.375 174.600 -0.006 0.000 0.997 282 S CA 0.199 58.398 58.200 -0.001 0.000 0.919 282 S CB 0.115 63.314 63.200 -0.001 0.000 0.778 282 S HN -0.013 nan 8.310 nan 0.000 0.523 283 L N 1.004 122.223 121.223 -0.006 0.000 2.298 283 L HA 0.423 4.762 4.340 -0.001 0.000 0.209 283 L C 2.388 179.252 176.870 -0.010 0.000 1.084 283 L CA 1.036 55.868 54.840 -0.012 0.000 0.816 283 L CB -0.513 41.536 42.059 -0.017 0.000 0.967 283 L HN 0.218 nan 8.230 nan 0.000 0.460 284 K N 0.947 121.343 120.400 -0.006 0.000 2.031 284 K HA -0.159 4.161 4.320 -0.001 0.000 0.205 284 K C 2.054 178.649 176.600 -0.008 0.000 1.049 284 K CA 1.623 57.907 56.287 -0.007 0.000 0.939 284 K CB -0.060 32.438 32.500 -0.003 0.000 0.717 284 K HN 0.334 nan 8.250 nan 0.000 0.438 285 K N 0.177 120.573 120.400 -0.007 0.000 2.002 285 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 285 K C 2.128 178.723 176.600 -0.009 0.000 1.048 285 K CA 1.824 58.106 56.287 -0.007 0.000 0.930 285 K CB -0.469 32.027 32.500 -0.006 0.000 0.714 285 K HN 0.221 nan 8.250 nan 0.000 0.438 286 E N 1.049 121.243 120.200 -0.010 0.000 2.331 286 E HA -0.120 4.230 4.350 -0.001 0.000 0.199 286 E C 1.986 178.578 176.600 -0.013 0.000 1.008 286 E CA 1.150 57.543 56.400 -0.011 0.000 0.843 286 E CB -0.387 29.305 29.700 -0.013 0.000 0.761 286 E HN 0.534 nan 8.360 nan 0.000 0.507 287 G N 0.579 109.371 108.800 -0.013 0.000 2.476 287 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.218 287 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.218 287 G C 1.567 176.457 174.900 -0.016 0.000 1.164 287 G CA 1.749 46.840 45.100 -0.015 0.000 0.768 287 G HN 0.312 nan 8.290 nan 0.000 0.560 288 V N -1.371 118.534 119.914 -0.015 0.000 2.278 288 V HA 0.051 4.170 4.120 -0.001 0.000 0.238 288 V C 2.275 178.361 176.094 -0.013 0.000 1.039 288 V CA 1.892 64.182 62.300 -0.017 0.000 1.017 288 V CB -1.282 30.530 31.823 -0.019 0.000 0.657 288 V HN 0.392 nan 8.190 nan 0.000 0.462 289 E N 0.827 121.021 120.200 -0.009 0.000 2.253 289 E HA -0.299 4.050 4.350 -0.001 0.000 0.202 289 E C 2.005 178.602 176.600 -0.006 0.000 1.014 289 E CA 1.984 58.381 56.400 -0.005 0.000 0.823 289 E CB -0.221 29.476 29.700 -0.004 0.000 0.736 289 E HN 0.728 nan 8.360 nan 0.000 0.478 290 K N 1.116 121.511 120.400 -0.009 0.000 1.993 290 K HA -0.131 4.189 4.320 -0.001 0.000 0.220 290 K C 0.651 177.245 176.600 -0.010 0.000 1.028 290 K CA 1.125 57.406 56.287 -0.010 0.000 0.994 290 K CB -0.090 32.403 32.500 -0.013 0.000 0.788 290 K HN -0.125 nan 8.250 nan 0.000 0.445 291 D N 1.291 121.683 120.400 -0.013 0.000 2.416 291 D HA 0.060 4.700 4.640 -0.001 0.000 0.240 291 D C -0.141 176.150 176.300 -0.014 0.000 1.250 291 D CA 0.223 54.214 54.000 -0.014 0.000 0.967 291 D CB 0.276 41.066 40.800 -0.017 0.000 1.059 291 D HN 0.175 nan 8.370 nan 0.000 0.512 292 R N 2.046 122.541 120.500 -0.009 0.000 3.474 292 R HA 0.569 4.908 4.340 -0.001 0.000 0.224 292 R C -0.440 175.861 176.300 0.003 0.000 1.554 292 R CA -0.680 55.418 56.100 -0.003 0.000 0.952 292 R CB 0.362 30.667 30.300 0.008 0.000 1.691 292 R HN 0.334 nan 8.270 nan 0.000 0.512 293 I N 0.730 121.315 120.570 0.025 0.000 2.420 293 I HA 0.296 4.465 4.170 -0.001 0.000 0.282 293 I C -0.233 175.902 176.117 0.030 0.000 1.019 293 I CA -1.026 60.292 61.300 0.031 0.000 1.130 293 I CB 1.429 39.468 38.000 0.065 0.000 1.262 293 I HN 0.240 nan 8.210 nan 0.000 0.454 294 D N 5.093 125.497 120.400 0.007 0.000 2.703 294 D HA -0.014 4.626 4.640 -0.001 0.000 0.225 294 D C 0.842 177.131 176.300 -0.018 0.000 1.119 294 D CA 0.756 54.754 54.000 -0.003 0.000 0.845 294 D CB 1.265 42.060 40.800 -0.007 0.000 1.182 294 D HN 0.618 nan 8.370 nan 0.000 0.493 295 V N 0.914 120.812 119.914 -0.026 0.000 3.523 295 V HA 0.106 4.225 4.120 -0.001 0.000 0.273 295 V C 0.752 176.816 176.094 -0.050 0.000 1.675 295 V CA 0.107 62.367 62.300 -0.066 0.000 1.079 295 V CB -1.356 30.411 31.823 -0.093 0.000 0.901 295 V HN 0.720 nan 8.190 nan 0.000 0.406 296 L N 0.025 121.236 121.223 -0.019 0.000 3.889 296 L HA -0.209 4.131 4.340 -0.001 0.000 0.559 296 L C 0.318 177.191 176.870 0.005 0.000 1.138 296 L CA 0.946 55.784 54.840 -0.002 0.000 0.801 296 L CB -2.326 39.738 42.059 0.008 0.000 1.241 296 L HN 0.481 nan 8.230 nan 0.000 0.787 297 K N 2.303 122.704 120.400 0.001 0.000 2.614 297 K HA 0.677 4.997 4.320 -0.001 0.000 0.275 297 K C 1.234 177.850 176.600 0.026 0.000 1.055 297 K CA -0.069 56.227 56.287 0.015 0.000 0.961 297 K CB -0.139 32.365 32.500 0.007 0.000 1.220 297 K HN 0.747 nan 8.250 nan 0.000 0.491 298 G N 0.734 109.535 108.800 0.002 0.000 2.740 298 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.250 298 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.250 298 G C 0.339 175.215 174.900 -0.040 0.000 1.358 298 G CA 0.460 45.516 45.100 -0.075 0.000 0.897 298 G HN 0.777 nan 8.290 nan 0.000 0.567 299 E N -0.035 120.108 120.200 -0.095 0.000 2.533 299 E HA -0.041 4.308 4.350 -0.001 0.000 0.201 299 E C 2.123 178.746 176.600 0.037 0.000 1.097 299 E CA 0.972 57.358 56.400 -0.024 0.000 0.887 299 E CB -0.248 29.414 29.700 -0.063 0.000 0.855 299 E HN 0.533 nan 8.360 nan 0.000 0.540 300 K N -0.517 119.906 120.400 0.038 0.000 2.155 300 K HA -0.070 4.250 4.320 -0.001 0.000 0.203 300 K C 1.852 178.496 176.600 0.073 0.000 1.052 300 K CA 1.019 57.331 56.287 0.040 0.000 0.948 300 K CB 0.144 32.658 32.500 0.024 0.000 0.728 300 K HN 0.099 nan 8.250 nan 0.000 0.448 301 A N 1.063 123.961 122.820 0.129 0.000 1.942 301 A HA -0.011 4.308 4.320 -0.001 0.000 0.209 301 A C 1.847 179.580 177.584 0.248 0.000 1.214 301 A CA 0.128 52.271 52.037 0.177 0.000 0.686 301 A CB -0.330 18.785 19.000 0.192 0.000 0.871 301 A HN 0.214 nan 8.150 nan 0.000 0.460 302 L N -0.540 120.913 121.223 0.383 0.000 2.563 302 L HA -0.143 4.196 4.340 -0.001 0.000 0.230 302 L C 1.705 178.616 176.870 0.068 0.000 1.162 302 L CA 1.740 56.781 54.840 0.334 0.000 0.812 302 L CB -0.333 42.044 42.059 0.529 0.000 0.935 302 L HN 0.123 nan 8.230 nan 0.000 0.451 303 K N -0.545 119.897 120.400 0.071 0.000 2.211 303 K HA 0.249 4.568 4.320 -0.001 0.000 0.201 303 K C 1.678 178.282 176.600 0.006 0.000 1.052 303 K CA 1.039 57.340 56.287 0.023 0.000 0.973 303 K CB 0.094 32.611 32.500 0.029 0.000 0.766 303 K HN 0.428 nan 8.250 nan 0.000 0.466 304 A N 0.119 122.952 122.820 0.023 0.000 2.348 304 A HA 0.063 4.383 4.320 -0.001 0.000 0.224 304 A C 1.775 179.354 177.584 -0.007 0.000 1.227 304 A CA 0.418 52.466 52.037 0.019 0.000 0.885 304 A CB 0.021 19.046 19.000 0.042 0.000 0.933 304 A HN 0.160 nan 8.150 nan 0.000 0.506 305 S N -0.864 114.790 115.700 -0.078 0.000 2.489 305 S HA 0.231 4.701 4.470 -0.001 0.000 0.228 305 S C 1.793 176.229 174.600 -0.273 0.000 0.995 305 S CA 1.631 59.670 58.200 -0.267 0.000 0.934 305 S CB -0.330 62.357 63.200 -0.854 0.000 0.771 305 S HN 1.664 nan 8.310 nan 0.000 0.522 306 G N 0.618 109.320 108.800 -0.163 0.000 2.480 306 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.246 306 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.246 306 G C 0.166 175.001 174.900 -0.109 0.000 1.073 306 G CA 0.755 45.802 45.100 -0.088 0.000 0.643 306 G HN 0.528 nan 8.290 nan 0.000 0.525 307 L N 0.248 121.287 121.223 -0.306 0.000 2.477 307 L HA 0.340 4.680 4.340 -0.001 0.000 0.289 307 L C 1.247 178.026 176.870 -0.153 0.000 1.279 307 L CA 0.497 55.125 54.840 -0.352 0.000 0.825 307 L CB 0.289 41.836 42.059 -0.854 0.000 1.085 307 L HN 0.075 nan 8.230 nan 0.000 0.548 308 V N 3.489 123.390 119.914 -0.021 0.000 2.364 308 V HA 0.160 4.280 4.120 -0.001 0.000 0.272 308 V C -1.422 174.586 176.094 -0.144 0.000 1.036 308 V CA -1.167 61.090 62.300 -0.072 0.000 0.880 308 V CB 1.300 33.044 31.823 -0.131 0.000 0.991 308 V HN 0.685 nan 8.190 nan 0.000 0.460 309 P HA -0.238 nan 4.420 nan 0.000 0.218 309 P C 1.421 178.686 177.300 -0.058 0.000 1.165 309 P CA 1.641 64.719 63.100 -0.036 0.000 0.922 309 P CB 0.248 31.925 31.700 -0.038 0.000 0.794 310 E N -2.159 117.950 120.200 -0.152 0.000 2.209 310 E HA -0.231 4.119 4.350 -0.001 0.000 0.196 310 E C 1.889 178.415 176.600 -0.123 0.000 0.993 310 E CA 1.052 57.366 56.400 -0.144 0.000 0.819 310 E CB -0.484 29.096 29.700 -0.200 0.000 0.745 310 E HN 0.576 nan 8.360 nan 0.000 0.477 311 H N -0.047 118.910 119.070 -0.189 0.000 2.287 311 H HA 0.079 4.635 4.556 -0.001 0.000 0.309 311 H C 2.315 177.323 175.328 -0.533 0.000 1.059 311 H CA 0.512 56.303 56.048 -0.429 0.000 1.357 311 H CB 0.006 29.506 29.762 -0.438 0.000 1.409 311 H HN 0.154 nan 8.280 nan 0.000 0.515 312 A N 1.348 124.062 122.820 -0.175 0.000 1.884 312 A HA -0.274 4.046 4.320 -0.001 0.000 0.219 312 A C 1.906 179.602 177.584 0.185 0.000 1.197 312 A CA 2.263 54.282 52.037 -0.030 0.000 0.637 312 A CB -0.670 18.293 19.000 -0.063 0.000 0.827 312 A HN 0.439 nan 8.150 nan 0.000 0.450 313 D N -0.346 120.209 120.400 0.259 0.000 2.190 313 D HA -0.110 4.530 4.640 -0.001 0.000 0.200 313 D C 2.162 178.548 176.300 0.144 0.000 0.992 313 D CA 1.431 55.588 54.000 0.262 0.000 0.854 313 D CB -0.182 40.693 40.800 0.125 0.000 0.936 313 D HN 0.493 nan 8.370 nan 0.000 0.462 314 A N 0.184 123.019 122.820 0.026 0.000 1.929 314 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 314 A C 2.071 179.704 177.584 0.081 0.000 1.176 314 A CA 0.616 52.648 52.037 -0.008 0.000 0.628 314 A CB -0.916 18.012 19.000 -0.119 0.000 0.816 314 A HN 0.190 nan 8.150 nan 0.000 0.444 315 F N -0.027 119.972 119.950 0.082 0.000 2.234 315 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 315 F C 2.288 178.136 175.800 0.081 0.000 1.087 315 F CA 1.198 59.241 58.000 0.071 0.000 1.340 315 F CB 0.011 39.037 39.000 0.044 0.000 1.031 315 F HN 0.158 nan 8.300 nan 0.000 0.500 316 K N 1.152 121.730 120.400 0.298 0.000 2.286 316 K HA -0.247 4.073 4.320 -0.001 0.000 0.203 316 K C 2.036 178.737 176.600 0.168 0.000 1.045 316 K CA 1.199 57.633 56.287 0.244 0.000 0.935 316 K CB -0.080 32.609 32.500 0.315 0.000 0.737 316 K HN 0.190 nan 8.250 nan 0.000 0.460 317 K N 0.254 120.748 120.400 0.157 0.000 2.186 317 K HA -0.058 4.261 4.320 -0.001 0.000 0.202 317 K C 1.750 178.411 176.600 0.101 0.000 1.052 317 K CA 0.641 56.995 56.287 0.112 0.000 0.965 317 K CB 0.120 32.679 32.500 0.098 0.000 0.746 317 K HN 0.009 nan 8.250 nan 0.000 0.457 318 I N 1.564 122.209 120.570 0.126 0.000 2.233 318 I HA -0.116 4.054 4.170 -0.001 0.000 0.243 318 I C 2.442 178.602 176.117 0.071 0.000 1.093 318 I CA 1.200 62.560 61.300 0.099 0.000 1.380 318 I CB -0.820 37.254 38.000 0.123 0.000 1.067 318 I HN 0.081 nan 8.210 nan 0.000 0.413 319 A N 1.257 124.123 122.820 0.077 0.000 1.870 319 A HA -0.323 3.997 4.320 -0.001 0.000 0.219 319 A C 2.492 180.092 177.584 0.027 0.000 1.224 319 A CA 2.570 54.631 52.037 0.042 0.000 0.650 319 A CB -0.964 18.052 19.000 0.027 0.000 0.836 319 A HN 0.374 nan 8.150 nan 0.000 0.454 320 R N -0.843 119.679 120.500 0.037 0.000 2.113 320 R HA -0.231 4.109 4.340 -0.001 0.000 0.244 320 R C 2.413 178.726 176.300 0.022 0.000 1.142 320 R CA 1.827 57.946 56.100 0.031 0.000 0.953 320 R CB -0.481 29.844 30.300 0.041 0.000 0.860 320 R HN 0.864 nan 8.270 nan 0.000 0.438 321 E N 0.951 121.168 120.200 0.028 0.000 2.038 321 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 321 E C 1.781 178.381 176.600 -0.000 0.000 1.000 321 E CA 1.263 57.674 56.400 0.019 0.000 0.803 321 E CB 0.012 29.730 29.700 0.030 0.000 0.750 321 E HN 0.306 nan 8.360 nan 0.000 0.448 322 L N 0.139 121.360 121.223 -0.004 0.000 2.477 322 L HA 0.124 4.464 4.340 -0.001 0.000 0.220 322 L C 0.640 177.462 176.870 -0.080 0.000 1.106 322 L CA 0.203 55.023 54.840 -0.033 0.000 0.851 322 L CB -0.361 41.692 42.059 -0.009 0.000 0.994 322 L HN 0.285 nan 8.230 nan 0.000 0.462 323 N N 1.264 119.929 118.700 -0.059 0.000 2.573 323 N HA -0.164 4.575 4.740 -0.001 0.000 0.275 323 N C -0.481 174.914 175.510 -0.192 0.000 1.208 323 N CA 0.516 53.510 53.050 -0.092 0.000 0.688 323 N CB -0.304 38.115 38.487 -0.114 0.000 0.882 323 N HN 0.395 nan 8.380 nan 0.000 0.548 324 T N -0.138 114.373 114.554 -0.073 0.000 3.193 324 T HA 0.310 4.660 4.350 -0.001 0.000 0.332 324 T C -0.360 174.441 174.700 0.168 0.000 1.208 324 T CA -0.728 61.359 62.100 -0.022 0.000 1.080 324 T CB 0.582 69.421 68.868 -0.048 0.000 1.180 324 T HN 0.215 nan 8.240 nan 0.000 0.469 325 Y N 2.368 122.758 120.300 0.151 0.000 2.546 325 Y HA 0.519 5.069 4.550 -0.001 0.000 0.351 325 Y C 0.859 176.829 175.900 0.116 0.000 1.266 325 Y CA -0.480 57.730 58.100 0.184 0.000 1.487 325 Y CB 0.384 39.002 38.460 0.263 0.000 1.365 325 Y HN 0.635 nan 8.280 nan 0.000 0.642 326 I N 2.770 123.473 120.570 0.220 0.000 2.571 326 I HA 0.229 4.399 4.170 -0.001 0.000 0.286 326 I C -1.662 174.542 176.117 0.145 0.000 1.134 326 I CA -0.540 60.813 61.300 0.089 0.000 1.052 326 I CB 1.278 39.322 38.000 0.073 0.000 1.237 326 I HN 0.153 nan 8.210 nan 0.000 0.435 327 L N 6.367 127.622 121.223 0.054 0.000 2.346 327 L HA 0.658 4.998 4.340 -0.001 0.000 0.276 327 L C -0.832 176.093 176.870 0.092 0.000 1.006 327 L CA -0.237 54.715 54.840 0.185 0.000 0.817 327 L CB 1.281 43.449 42.059 0.181 0.000 1.272 327 L HN 0.247 nan 8.230 nan 0.000 0.421 328 F N 0.606 120.652 119.950 0.161 0.000 2.577 328 F HA 0.663 5.190 4.527 -0.001 0.000 0.318 328 F C 0.816 176.737 175.800 0.202 0.000 1.065 328 F CA -0.978 57.125 58.000 0.171 0.000 0.929 328 F CB 1.401 40.446 39.000 0.076 0.000 1.237 328 F HN 0.321 nan 8.300 nan 0.000 0.468 329 R N 0.695 121.449 120.500 0.423 0.000 2.811 329 R HA 0.408 4.747 4.340 -0.001 0.000 0.237 329 R C -2.438 174.019 176.300 0.262 0.000 1.231 329 R CA -1.340 54.966 56.100 0.343 0.000 1.070 329 R CB -0.194 30.302 30.300 0.326 0.000 1.126 329 R HN 0.269 nan 8.270 nan 0.000 0.540 330 P HA 0.184 nan 4.420 nan 0.000 0.301 330 P C -1.092 176.288 177.300 0.133 0.000 1.338 330 P CA -0.406 62.778 63.100 0.139 0.000 0.834 330 P CB 1.313 33.084 31.700 0.119 0.000 0.967 331 V N 3.601 123.579 119.914 0.107 0.000 2.372 331 V HA 0.104 4.223 4.120 -0.001 0.000 0.261 331 V C 0.878 177.018 176.094 0.076 0.000 1.055 331 V CA -0.555 61.824 62.300 0.131 0.000 0.930 331 V CB -0.421 31.518 31.823 0.194 0.000 1.031 331 V HN 0.585 nan 8.190 nan 0.000 0.479 332 N N 4.765 123.507 118.700 0.070 0.000 2.219 332 N HA -0.092 4.647 4.740 -0.001 0.000 0.263 332 N C 1.037 176.568 175.510 0.034 0.000 1.269 332 N CA 0.361 53.441 53.050 0.050 0.000 0.831 332 N CB 0.679 39.194 38.487 0.046 0.000 1.059 332 N HN 0.526 nan 8.380 nan 0.000 0.475 333 K N 3.044 123.461 120.400 0.028 0.000 2.044 333 K HA -0.099 4.221 4.320 -0.001 0.000 0.210 333 K C 0.903 177.512 176.600 0.015 0.000 1.049 333 K CA 1.203 57.500 56.287 0.017 0.000 0.927 333 K CB -0.257 32.253 32.500 0.017 0.000 0.713 333 K HN 0.475 nan 8.250 nan 0.000 0.443 334 L N 0.027 121.261 121.223 0.019 0.000 2.962 334 L HA -0.034 4.305 4.340 -0.001 0.000 0.263 334 L C 0.940 177.814 176.870 0.006 0.000 1.152 334 L CA 0.851 55.700 54.840 0.017 0.000 0.954 334 L CB -1.006 41.066 42.059 0.021 0.000 1.213 334 L HN 0.245 nan 8.230 nan 0.000 0.422 335 A N -3.455 119.363 122.820 -0.002 0.000 2.533 335 A HA 0.095 4.414 4.320 -0.001 0.000 0.180 335 A C 1.856 179.429 177.584 -0.018 0.000 1.566 335 A CA 0.408 52.427 52.037 -0.029 0.000 1.153 335 A CB -0.061 18.918 19.000 -0.035 0.000 1.462 335 A HN 0.255 nan 8.150 nan 0.000 0.523 336 T N 1.538 116.094 114.554 0.004 0.000 2.597 336 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 336 T C 1.735 176.436 174.700 0.001 0.000 1.053 336 T CA 1.942 64.050 62.100 0.014 0.000 1.165 336 T CB -0.358 68.510 68.868 -0.000 0.000 0.863 336 T HN 0.497 nan 8.240 nan 0.000 0.427 337 N N 0.963 119.659 118.700 -0.007 0.000 2.331 337 N HA 0.091 4.830 4.740 -0.001 0.000 0.180 337 N C 1.957 177.465 175.510 -0.002 0.000 1.019 337 N CA 0.561 53.606 53.050 -0.009 0.000 0.881 337 N CB -0.265 38.219 38.487 -0.004 0.000 0.972 337 N HN 0.357 nan 8.380 nan 0.000 0.435 338 L N 0.912 122.125 121.223 -0.016 0.000 2.131 338 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 338 L C 2.180 179.039 176.870 -0.019 0.000 1.092 338 L CA 0.869 55.682 54.840 -0.045 0.000 0.759 338 L CB -0.367 41.604 42.059 -0.145 0.000 0.903 338 L HN 0.104 nan 8.230 nan 0.000 0.435 339 I N -0.042 120.523 120.570 -0.009 0.000 2.163 339 I HA -0.295 3.875 4.170 -0.001 0.000 0.240 339 I C 2.662 178.860 176.117 0.135 0.000 1.081 339 I CA 1.323 62.642 61.300 0.032 0.000 1.353 339 I CB -0.301 37.681 38.000 -0.029 0.000 1.054 339 I HN 0.190 nan 8.210 nan 0.000 0.407 340 K N 0.675 121.108 120.400 0.055 0.000 2.152 340 K HA -0.206 4.114 4.320 -0.001 0.000 0.206 340 K C 2.330 178.971 176.600 0.068 0.000 1.048 340 K CA 1.563 57.857 56.287 0.012 0.000 0.933 340 K CB -0.087 32.367 32.500 -0.077 0.000 0.721 340 K HN 0.151 nan 8.250 nan 0.000 0.447 341 S N -1.174 114.558 115.700 0.055 0.000 2.365 341 S HA -0.134 4.335 4.470 -0.001 0.000 0.221 341 S C 1.334 175.969 174.600 0.059 0.000 1.037 341 S CA 1.956 60.181 58.200 0.043 0.000 1.060 341 S CB -0.272 62.946 63.200 0.031 0.000 0.974 341 S HN 0.628 nan 8.310 nan 0.000 0.427 342 G N -0.875 107.979 108.800 0.090 0.000 3.784 342 G HA2 0.027 3.986 3.960 -0.001 0.000 0.220 342 G HA3 0.027 3.986 3.960 -0.001 0.000 0.220 342 G C -0.340 174.547 174.900 -0.022 0.000 0.895 342 G CA -0.041 45.070 45.100 0.019 0.000 0.939 342 G HN 0.510 nan 8.290 nan 0.000 0.708 343 V N 2.435 122.375 119.914 0.043 0.000 2.446 343 V HA 0.551 4.671 4.120 -0.001 0.000 0.276 343 V C 1.298 177.420 176.094 0.046 0.000 1.030 343 V CA 0.140 62.425 62.300 -0.026 0.000 1.033 343 V CB 0.439 32.178 31.823 -0.141 0.000 0.993 343 V HN 0.770 nan 8.190 nan 0.000 0.477 344 A N 5.188 128.007 122.820 -0.002 0.000 2.492 344 A HA 0.460 4.780 4.320 -0.001 0.000 0.236 344 A C 0.864 178.446 177.584 -0.002 0.000 1.078 344 A CA 0.164 52.233 52.037 0.054 0.000 0.773 344 A CB 0.001 18.988 19.000 -0.021 0.000 1.023 344 A HN 0.948 nan 8.150 nan 0.000 0.504 345 T N -0.355 114.191 114.554 -0.012 0.000 2.918 345 T HA 0.441 4.790 4.350 -0.001 0.000 0.283 345 T C 0.034 174.682 174.700 -0.087 0.000 1.001 345 T CA -0.784 61.258 62.100 -0.096 0.000 1.041 345 T CB 0.848 69.614 68.868 -0.169 0.000 1.028 345 T HN 0.652 nan 8.240 nan 0.000 0.511 346 K N 1.647 121.996 120.400 -0.085 0.000 2.278 346 K HA 0.335 4.654 4.320 -0.001 0.000 0.289 346 K C 1.010 177.578 176.600 -0.052 0.000 1.080 346 K CA -0.559 55.692 56.287 -0.061 0.000 0.934 346 K CB -0.469 32.009 32.500 -0.036 0.000 1.093 346 K HN 0.800 nan 8.250 nan 0.000 0.459 347 G N 3.010 111.768 108.800 -0.071 0.000 2.522 347 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.223 347 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.223 347 G C 0.715 175.619 174.900 0.007 0.000 1.565 347 G CA -0.260 44.802 45.100 -0.064 0.000 1.053 347 G HN 0.624 nan 8.290 nan 0.000 0.547 348 L N 0.581 121.799 121.223 -0.008 0.000 2.253 348 L HA 0.063 4.403 4.340 -0.001 0.000 0.205 348 L C 2.810 179.603 176.870 -0.129 0.000 1.078 348 L CA 0.758 55.609 54.840 0.019 0.000 0.805 348 L CB -0.280 41.804 42.059 0.042 0.000 0.963 348 L HN 0.664 nan 8.230 nan 0.000 0.459 349 N N -0.291 118.248 118.700 -0.268 0.000 2.247 349 N HA -0.138 4.602 4.740 -0.001 0.000 0.189 349 N C 0.469 175.659 175.510 -0.533 0.000 1.009 349 N CA 0.619 53.359 53.050 -0.517 0.000 0.872 349 N CB -0.275 37.827 38.487 -0.642 0.000 0.980 349 N HN 0.116 nan 8.380 nan 0.000 0.436 350 V N 2.013 121.701 119.914 -0.376 0.000 2.398 350 V HA 0.115 4.235 4.120 -0.001 0.000 0.286 350 V C -0.387 175.538 176.094 -0.283 0.000 1.026 350 V CA -0.644 61.451 62.300 -0.342 0.000 0.868 350 V CB 1.387 33.123 31.823 -0.146 0.000 0.982 350 V HN 0.318 nan 8.190 nan 0.000 0.443 351 H N 3.502 122.550 119.070 -0.036 0.000 2.507 351 H HA 0.396 4.951 4.556 -0.001 0.000 0.271 351 H C 0.685 175.992 175.328 -0.037 0.000 1.224 351 H CA -0.039 55.977 56.048 -0.054 0.000 1.000 351 H CB 0.723 30.440 29.762 -0.075 0.000 1.663 351 H HN 0.694 nan 8.280 nan 0.000 0.548 352 G N 0.600 109.421 108.800 0.034 0.000 2.451 352 G HA2 0.336 4.295 3.960 -0.001 0.000 0.303 352 G HA3 0.336 4.295 3.960 -0.001 0.000 0.303 352 G C -0.052 174.863 174.900 0.025 0.000 1.166 352 G CA -0.682 44.432 45.100 0.023 0.000 0.884 352 G HN -0.003 nan 8.290 nan 0.000 0.514 353 K N 0.906 121.321 120.400 0.024 0.000 2.183 353 K HA 0.364 4.684 4.320 -0.001 0.000 0.274 353 K C 0.649 177.270 176.600 0.034 0.000 1.009 353 K CA -0.429 55.878 56.287 0.033 0.000 0.888 353 K CB 1.692 34.218 32.500 0.042 0.000 1.078 353 K HN 0.454 nan 8.250 nan 0.000 0.459 354 S N 1.264 116.986 115.700 0.037 0.000 2.647 354 S HA 0.168 4.637 4.470 -0.001 0.000 0.251 354 S C 0.115 174.739 174.600 0.041 0.000 1.320 354 S CA -0.032 58.187 58.200 0.032 0.000 0.968 354 S CB 0.442 63.662 63.200 0.033 0.000 1.005 354 S HN 0.594 nan 8.310 nan 0.000 0.576 355 S N -0.732 114.982 115.700 0.023 0.000 2.570 355 S HA 0.525 4.994 4.470 -0.001 0.000 0.270 355 S C -2.377 172.231 174.600 0.012 0.000 1.149 355 S CA -0.582 57.626 58.200 0.013 0.000 0.837 355 S CB 1.220 64.333 63.200 -0.145 0.000 1.124 355 S HN 0.758 nan 8.310 nan 0.000 0.465 356 D N 2.057 122.527 120.400 0.116 0.000 2.945 356 D HA 0.348 4.988 4.640 -0.001 0.000 0.369 356 D C -0.524 175.940 176.300 0.273 0.000 1.294 356 D CA -0.245 53.843 54.000 0.147 0.000 0.778 356 D CB -0.265 40.634 40.800 0.165 0.000 1.188 356 D HN 0.560 nan 8.370 nan 0.000 0.479 357 W N -0.515 120.738 121.300 -0.079 0.000 3.979 357 W HA 0.452 5.111 4.660 -0.001 0.000 0.265 357 W C -0.049 176.336 176.519 -0.224 0.000 1.273 357 W CA -0.886 56.384 57.345 -0.125 0.000 1.231 357 W CB 0.121 29.512 29.460 -0.114 0.000 1.236 357 W HN 0.646 nan 8.180 nan 0.000 0.564 358 G N 2.856 111.441 108.800 -0.359 0.000 2.757 358 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.638 358 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.638 358 G C -1.277 173.283 174.900 -0.566 0.000 1.344 358 G CA -0.220 44.463 45.100 -0.695 0.000 0.855 358 G HN 0.498 nan 8.290 nan 0.000 0.537 359 P HA -0.140 nan 4.420 nan 0.000 0.215 359 P C 2.141 179.173 177.300 -0.447 0.000 1.157 359 P CA 2.460 65.323 63.100 -0.394 0.000 0.868 359 P CB -0.162 31.346 31.700 -0.320 0.000 0.788 360 V N 0.670 120.272 119.914 -0.520 0.000 2.439 360 V HA -0.188 3.931 4.120 -0.001 0.000 0.253 360 V C 1.256 177.181 176.094 -0.281 0.000 1.074 360 V CA 1.440 63.456 62.300 -0.473 0.000 1.076 360 V CB -1.731 29.807 31.823 -0.475 0.000 0.664 360 V HN 0.244 nan 8.190 nan 0.000 0.461 361 A N -0.072 122.555 122.820 -0.321 0.000 2.616 361 A HA 0.288 4.607 4.320 -0.001 0.000 0.242 361 A C 1.740 179.365 177.584 0.069 0.000 0.987 361 A CA 1.085 53.029 52.037 -0.155 0.000 0.800 361 A CB -1.281 17.634 19.000 -0.142 0.000 0.883 361 A HN 2.237 nan 8.150 nan 0.000 0.496 362 G N 0.779 109.610 108.800 0.052 0.000 2.205 362 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.261 362 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.261 362 G C 0.022 174.941 174.900 0.032 0.000 0.980 362 G CA 0.941 46.072 45.100 0.053 0.000 0.632 362 G HN 1.051 nan 8.290 nan 0.000 0.533 363 Y N -0.162 120.083 120.300 -0.093 0.000 2.567 363 Y HA 0.667 5.216 4.550 -0.001 0.000 0.333 363 Y C 0.796 176.653 175.900 -0.071 0.000 1.106 363 Y CA -1.656 56.398 58.100 -0.077 0.000 1.157 363 Y CB 1.038 39.442 38.460 -0.093 0.000 1.277 363 Y HN 0.043 nan 8.280 nan 0.000 0.490 364 I N 3.983 124.614 120.570 0.102 0.000 2.318 364 I HA 0.200 4.370 4.170 -0.001 0.000 0.285 364 I C -2.551 173.603 176.117 0.061 0.000 1.127 364 I CA -2.754 58.577 61.300 0.052 0.000 1.243 364 I CB -1.050 36.968 38.000 0.030 0.000 1.498 364 I HN 0.240 nan 8.210 nan 0.000 0.535 365 P HA -0.189 nan 4.420 nan 0.000 0.263 365 P C 0.734 178.062 177.300 0.046 0.000 1.162 365 P CA 0.334 63.442 63.100 0.014 0.000 0.758 365 P CB 0.721 32.388 31.700 -0.055 0.000 0.773 366 F N 2.485 122.440 119.950 0.009 0.000 2.502 366 F HA 0.010 4.536 4.527 -0.001 0.000 0.298 366 F C 0.511 176.349 175.800 0.064 0.000 1.111 366 F CA 0.416 58.435 58.000 0.031 0.000 1.445 366 F CB -0.175 38.841 39.000 0.025 0.000 1.081 366 F HN 0.164 nan 8.300 nan 0.000 0.558 367 D N 0.410 120.754 120.400 -0.093 0.000 2.280 367 D HA 0.112 4.752 4.640 -0.001 0.000 0.243 367 D C 0.954 177.224 176.300 -0.050 0.000 1.129 367 D CA -0.055 53.907 54.000 -0.064 0.000 0.848 367 D CB 1.002 41.924 40.800 0.204 0.000 1.107 367 D HN 0.069 nan 8.370 nan 0.000 0.471 368 Q N 1.932 121.688 119.800 -0.073 0.000 2.331 368 Q HA -0.072 4.267 4.340 -0.001 0.000 0.203 368 Q C 0.427 176.487 176.000 0.101 0.000 0.944 368 Q CA 0.676 56.477 55.803 -0.003 0.000 0.892 368 Q CB 0.164 28.884 28.738 -0.030 0.000 0.983 368 Q HN 0.556 nan 8.270 nan 0.000 0.482 369 D N 0.024 120.516 120.400 0.155 0.000 2.400 369 D HA 0.032 4.672 4.640 -0.001 0.000 0.243 369 D C 0.462 176.938 176.300 0.293 0.000 1.184 369 D CA 0.167 54.331 54.000 0.274 0.000 0.853 369 D CB -0.183 40.806 40.800 0.314 0.000 0.944 369 D HN 0.084 nan 8.370 nan 0.000 0.501 370 L N -0.287 121.055 121.223 0.198 0.000 3.333 370 L HA 0.218 4.558 4.340 -0.001 0.000 0.299 370 L C -0.345 176.556 176.870 0.052 0.000 1.256 370 L CA -0.135 54.769 54.840 0.107 0.000 1.037 370 L CB 0.305 42.331 42.059 -0.054 0.000 1.423 370 L HN 0.022 nan 8.230 nan 0.000 0.605 371 S N -2.274 113.552 115.700 0.210 0.000 2.599 371 S HA 0.352 4.821 4.470 -0.001 0.000 0.287 371 S C 0.820 175.609 174.600 0.315 0.000 1.105 371 S CA -0.457 57.850 58.200 0.180 0.000 0.899 371 S CB 2.135 65.390 63.200 0.090 0.000 1.100 371 S HN 0.330 nan 8.310 nan 0.000 0.482 372 K N 1.227 121.794 120.400 0.278 0.000 2.113 372 K HA -0.279 4.041 4.320 -0.001 0.000 0.224 372 K C 0.295 177.016 176.600 0.201 0.000 0.975 372 K CA 1.845 58.274 56.287 0.237 0.000 0.973 372 K CB -0.989 31.598 32.500 0.145 0.000 0.867 372 K HN 0.463 nan 8.250 nan 0.000 0.470 373 K N 2.410 122.903 120.400 0.155 0.000 2.256 373 K HA -0.076 4.243 4.320 -0.001 0.000 0.213 373 K C -0.468 176.231 176.600 0.165 0.000 1.182 373 K CA 0.415 56.775 56.287 0.122 0.000 1.224 373 K CB -0.976 31.574 32.500 0.084 0.000 1.197 373 K HN 0.412 nan 8.250 nan 0.000 0.223 374 H N 0.012 119.113 119.070 0.052 0.000 2.872 374 H HA 0.313 4.868 4.556 -0.001 0.000 0.273 374 H C 1.109 176.440 175.328 0.007 0.000 1.205 374 H CA 0.871 56.939 56.048 0.033 0.000 1.342 374 H CB 0.200 29.916 29.762 -0.077 0.000 1.469 374 H HN 0.663 nan 8.280 nan 0.000 0.487 375 G N 3.629 112.310 108.800 -0.198 0.000 3.033 375 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.196 375 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.196 375 G C 0.145 174.998 174.900 -0.079 0.000 1.078 375 G CA -0.422 44.560 45.100 -0.198 0.000 0.805 375 G HN 0.518 nan 8.290 nan 0.000 0.472 376 Q N 2.096 121.877 119.800 -0.031 0.000 2.493 376 Q HA 0.216 4.556 4.340 -0.001 0.000 0.252 376 Q C 1.540 177.538 176.000 -0.005 0.000 1.343 376 Q CA 0.284 56.081 55.803 -0.010 0.000 0.894 376 Q CB 0.327 29.071 28.738 0.010 0.000 1.600 376 Q HN 0.549 nan 8.270 nan 0.000 0.533 377 Q N 1.092 120.883 119.800 -0.015 0.000 2.528 377 Q HA -0.218 4.122 4.340 -0.001 0.000 0.217 377 Q C 0.417 176.418 176.000 0.002 0.000 0.988 377 Q CA 1.057 56.855 55.803 -0.008 0.000 0.900 377 Q CB 0.295 29.023 28.738 -0.016 0.000 0.947 377 Q HN 0.564 nan 8.270 nan 0.000 0.502 378 L N -1.793 119.433 121.223 0.005 0.000 2.588 378 L HA 0.221 4.560 4.340 -0.001 0.000 0.194 378 L C 1.971 178.849 176.870 0.013 0.000 1.070 378 L CA 1.223 56.069 54.840 0.009 0.000 0.852 378 L CB -0.709 41.354 42.059 0.007 0.000 1.199 378 L HN 0.006 nan 8.230 nan 0.000 0.486 379 A N -0.888 121.940 122.820 0.015 0.000 2.019 379 A HA -0.089 4.231 4.320 -0.001 0.000 0.219 379 A C 2.039 179.635 177.584 0.020 0.000 1.164 379 A CA 1.878 53.926 52.037 0.018 0.000 0.644 379 A CB -0.672 18.341 19.000 0.022 0.000 0.805 379 A HN 0.249 nan 8.150 nan 0.000 0.449 380 V N -0.553 119.376 119.914 0.024 0.000 2.649 380 V HA -0.119 4.001 4.120 -0.001 0.000 0.248 380 V C 2.358 178.463 176.094 0.017 0.000 1.054 380 V CA 1.934 64.252 62.300 0.030 0.000 1.073 380 V CB -0.465 31.386 31.823 0.048 0.000 0.699 380 V HN 0.667 nan 8.190 nan 0.000 0.463 381 E N 1.561 121.771 120.200 0.017 0.000 1.999 381 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 381 E C 2.140 178.747 176.600 0.012 0.000 0.995 381 E CA 1.500 57.910 56.400 0.016 0.000 0.825 381 E CB -0.367 29.343 29.700 0.016 0.000 0.777 381 E HN 0.387 nan 8.360 nan 0.000 0.459 382 K N -0.580 119.829 120.400 0.014 0.000 2.585 382 K HA -0.065 4.254 4.320 -0.001 0.000 0.194 382 K C 1.521 178.129 176.600 0.013 0.000 1.037 382 K CA 0.768 57.065 56.287 0.016 0.000 0.964 382 K CB -0.325 32.185 32.500 0.017 0.000 0.787 382 K HN 0.310 nan 8.250 nan 0.000 0.488 383 G N 0.730 109.533 108.800 0.005 0.000 2.417 383 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.212 383 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.212 383 G C 1.165 176.046 174.900 -0.032 0.000 1.187 383 G CA 0.089 45.187 45.100 -0.003 0.000 0.804 383 G HN 0.272 nan 8.290 nan 0.000 0.534 384 N N 1.074 119.733 118.700 -0.069 0.000 2.043 384 N HA -0.101 4.638 4.740 -0.001 0.000 0.193 384 N C 2.115 177.596 175.510 -0.049 0.000 1.037 384 N CA 0.726 53.679 53.050 -0.160 0.000 0.851 384 N CB -0.621 37.757 38.487 -0.181 0.000 1.027 384 N HN 0.080 nan 8.380 nan 0.000 0.422 385 L N 1.837 123.063 121.223 0.005 0.000 2.230 385 L HA -0.221 4.119 4.340 -0.001 0.000 0.217 385 L C 1.992 178.901 176.870 0.064 0.000 1.090 385 L CA 1.821 56.688 54.840 0.046 0.000 0.771 385 L CB -0.742 41.341 42.059 0.040 0.000 0.892 385 L HN 0.149 nan 8.230 nan 0.000 0.438 386 E N -0.193 120.040 120.200 0.055 0.000 2.112 386 E HA -0.111 4.239 4.350 -0.001 0.000 0.190 386 E C 1.892 178.544 176.600 0.087 0.000 0.979 386 E CA 1.364 57.817 56.400 0.088 0.000 0.814 386 E CB -0.016 29.741 29.700 0.095 0.000 0.762 386 E HN 0.618 nan 8.360 nan 0.000 0.460 387 N N 0.069 118.813 118.700 0.073 0.000 2.080 387 N HA -0.124 4.616 4.740 -0.001 0.000 0.189 387 N C 1.623 177.246 175.510 0.189 0.000 1.036 387 N CA 1.023 54.146 53.050 0.122 0.000 0.846 387 N CB -0.072 38.509 38.487 0.157 0.000 1.015 387 N HN 0.032 nan 8.380 nan 0.000 0.423 388 K N 1.331 121.878 120.400 0.245 0.000 2.077 388 K HA -0.253 4.067 4.320 -0.001 0.000 0.213 388 K C 2.030 178.710 176.600 0.134 0.000 1.051 388 K CA 1.424 57.849 56.287 0.230 0.000 0.929 388 K CB -0.169 32.457 32.500 0.209 0.000 0.715 388 K HN 0.193 nan 8.250 nan 0.000 0.451 389 K N 0.708 121.176 120.400 0.113 0.000 2.103 389 K HA -0.045 4.274 4.320 -0.001 0.000 0.204 389 K C 2.101 178.766 176.600 0.108 0.000 1.052 389 K CA 1.147 57.490 56.287 0.094 0.000 0.945 389 K CB 0.086 32.643 32.500 0.094 0.000 0.722 389 K HN -0.033 nan 8.250 nan 0.000 0.443 390 S N 1.052 116.810 115.700 0.098 0.000 2.423 390 S HA -0.158 4.311 4.470 -0.001 0.000 0.238 390 S C 1.725 176.396 174.600 0.118 0.000 1.028 390 S CA 1.416 59.656 58.200 0.068 0.000 1.000 390 S CB -0.206 62.981 63.200 -0.021 0.000 0.797 390 S HN 0.316 nan 8.310 nan 0.000 0.487 391 I N 0.350 120.980 120.570 0.099 0.000 2.685 391 I HA -0.053 4.117 4.170 -0.001 0.000 0.251 391 I C 2.318 178.468 176.117 0.055 0.000 1.102 391 I CA 0.899 62.244 61.300 0.075 0.000 1.442 391 I CB -0.917 37.114 38.000 0.051 0.000 1.194 391 I HN 0.163 nan 8.210 nan 0.000 0.448 392 T N 0.469 115.052 114.554 0.048 0.000 2.778 392 T HA -0.181 4.168 4.350 -0.001 0.000 0.269 392 T C 1.639 176.333 174.700 -0.009 0.000 1.050 392 T CA 1.457 63.569 62.100 0.021 0.000 1.137 392 T CB -0.278 68.606 68.868 0.027 0.000 0.860 392 T HN 0.384 nan 8.240 nan 0.000 0.468 393 E N 0.496 120.687 120.200 -0.014 0.000 2.030 393 E HA -0.025 4.324 4.350 -0.001 0.000 0.189 393 E C 0.289 176.723 176.600 -0.277 0.000 0.974 393 E CA 0.725 57.032 56.400 -0.154 0.000 0.807 393 E CB 0.024 29.613 29.700 -0.184 0.000 0.771 393 E HN 0.618 nan 8.360 nan 0.000 0.451 394 H N 1.440 120.506 119.070 -0.008 0.000 2.482 394 H HA 0.121 4.677 4.556 -0.001 0.000 0.231 394 H C -0.783 174.537 175.328 -0.014 0.000 1.612 394 H CA -0.580 55.460 56.048 -0.014 0.000 1.279 394 H CB -0.038 29.710 29.762 -0.024 0.000 1.562 394 H HN 0.066 nan 8.280 nan 0.000 0.553 395 E N -0.151 120.079 120.200 0.050 0.000 2.318 395 E HA 0.507 4.857 4.350 -0.001 0.000 0.265 395 E C 1.372 177.987 176.600 0.025 0.000 1.069 395 E CA -0.686 55.732 56.400 0.030 0.000 0.893 395 E CB 0.798 30.502 29.700 0.006 0.000 1.076 395 E HN 0.424 nan 8.360 nan 0.000 0.414 396 G N 0.691 109.499 108.800 0.013 0.000 2.284 396 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.247 396 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.247 396 G C 0.993 175.899 174.900 0.011 0.000 1.012 396 G CA 0.588 45.693 45.100 0.008 0.000 0.618 396 G HN 0.520 nan 8.290 nan 0.000 0.521 397 E N -1.065 119.149 120.200 0.024 0.000 2.399 397 E HA 0.381 4.731 4.350 -0.001 0.000 0.206 397 E C 0.527 177.131 176.600 0.006 0.000 0.812 397 E CA 0.065 56.474 56.400 0.017 0.000 1.138 397 E CB 0.498 30.218 29.700 0.032 0.000 1.140 397 E HN 0.340 nan 8.360 nan 0.000 0.536 398 I N 0.790 121.374 120.570 0.023 0.000 2.406 398 I HA 0.626 4.796 4.170 -0.001 0.000 0.290 398 I C 0.478 176.603 176.117 0.014 0.000 0.999 398 I CA -0.395 60.910 61.300 0.009 0.000 1.124 398 I CB 0.901 38.905 38.000 0.007 0.000 1.289 398 I HN 0.162 nan 8.210 nan 0.000 0.441 399 G N 6.030 114.833 108.800 0.005 0.000 2.570 399 G HA2 0.623 4.583 3.960 -0.001 0.000 0.310 399 G HA3 0.623 4.583 3.960 -0.001 0.000 0.310 399 G C -1.746 173.152 174.900 -0.004 0.000 1.266 399 G CA -0.675 44.421 45.100 -0.006 0.000 0.825 399 G HN 0.431 nan 8.290 nan 0.000 0.483 400 K N -0.235 120.142 120.400 -0.038 0.000 2.397 400 K HA 0.751 5.071 4.320 -0.001 0.000 0.253 400 K C -0.500 176.080 176.600 -0.033 0.000 0.932 400 K CA -0.641 55.627 56.287 -0.030 0.000 0.795 400 K CB 2.173 34.614 32.500 -0.098 0.000 1.159 400 K HN 0.950 nan 8.250 nan 0.000 0.424 401 I N -1.869 118.698 120.570 -0.004 0.000 2.608 401 I HA 0.626 4.796 4.170 -0.001 0.000 0.295 401 I C -2.777 173.338 176.117 -0.003 0.000 1.049 401 I CA -2.797 58.499 61.300 -0.007 0.000 1.063 401 I CB 2.621 40.623 38.000 0.004 0.000 1.248 401 I HN 0.308 nan 8.210 nan 0.000 0.424 402 P HA 0.075 nan 4.420 nan 0.000 0.268 402 P C -0.523 176.749 177.300 -0.046 0.000 1.204 402 P CA -0.208 62.871 63.100 -0.035 0.000 0.768 402 P CB 0.477 32.157 31.700 -0.032 0.000 0.842 403 L N 4.917 126.081 121.223 -0.098 0.000 2.615 403 L HA -0.005 4.334 4.340 -0.001 0.000 0.271 403 L C 0.037 176.819 176.870 -0.146 0.000 1.183 403 L CA 1.128 55.860 54.840 -0.181 0.000 0.933 403 L CB -0.732 41.151 42.059 -0.293 0.000 1.199 403 L HN 0.267 nan 8.230 nan 0.000 0.487 404 K N 6.241 126.577 120.400 -0.106 0.000 2.579 404 K HA 0.334 4.654 4.320 -0.001 0.000 0.225 404 K C -1.240 175.331 176.600 -0.050 0.000 0.992 404 K CA -0.766 55.484 56.287 -0.063 0.000 1.018 404 K CB 0.874 33.367 32.500 -0.011 0.000 1.249 404 K HN 0.333 nan 8.250 nan 0.000 0.489 405 L N 4.683 125.847 121.223 -0.099 0.000 2.407 405 L HA 0.014 4.354 4.340 -0.001 0.000 0.282 405 L C 1.034 177.889 176.870 -0.025 0.000 1.110 405 L CA 0.199 55.000 54.840 -0.065 0.000 0.863 405 L CB -0.405 41.583 42.059 -0.117 0.000 1.207 405 L HN 0.588 nan 8.230 nan 0.000 0.454 406 D N 1.289 121.715 120.400 0.044 0.000 2.169 406 D HA -0.081 4.559 4.640 -0.001 0.000 0.253 406 D C 0.900 177.258 176.300 0.098 0.000 1.257 406 D CA 0.011 54.080 54.000 0.114 0.000 0.976 406 D CB 0.310 41.218 40.800 0.180 0.000 1.195 406 D HN 0.446 nan 8.370 nan 0.000 0.534 407 H N -0.871 118.180 119.070 -0.032 0.000 2.269 407 H HA -0.051 4.505 4.556 -0.001 0.000 0.299 407 H C 2.030 177.336 175.328 -0.037 0.000 1.058 407 H CA 1.035 57.059 56.048 -0.041 0.000 1.246 407 H CB -0.980 28.761 29.762 -0.034 0.000 1.376 407 H HN 0.139 nan 8.280 nan 0.000 0.503 408 L N 0.296 121.597 121.223 0.130 0.000 1.951 408 L HA -0.250 4.090 4.340 -0.001 0.000 0.222 408 L C 2.580 179.469 176.870 0.031 0.000 1.078 408 L CA 1.846 56.718 54.840 0.053 0.000 0.778 408 L CB -0.957 41.120 42.059 0.030 0.000 0.893 408 L HN 0.163 nan 8.230 nan 0.000 0.436 409 R N -0.308 120.214 120.500 0.037 0.000 2.279 409 R HA -0.263 4.077 4.340 -0.001 0.000 0.264 409 R C 1.998 178.296 176.300 -0.002 0.000 1.138 409 R CA 2.019 58.135 56.100 0.027 0.000 0.981 409 R CB -0.826 29.501 30.300 0.045 0.000 0.909 409 R HN 0.374 nan 8.270 nan 0.000 0.462 410 I N 0.356 120.915 120.570 -0.018 0.000 2.141 410 I HA -0.177 3.992 4.170 -0.001 0.000 0.236 410 I C 1.961 178.061 176.117 -0.028 0.000 1.071 410 I CA 1.525 62.800 61.300 -0.042 0.000 1.345 410 I CB -1.104 36.851 38.000 -0.075 0.000 1.066 410 I HN 0.345 nan 8.210 nan 0.000 0.406 411 E N 0.239 120.427 120.200 -0.020 0.000 2.339 411 E HA -0.291 4.058 4.350 -0.001 0.000 0.201 411 E C 1.899 178.494 176.600 -0.007 0.000 1.015 411 E CA 1.237 57.630 56.400 -0.012 0.000 0.841 411 E CB -0.051 29.647 29.700 -0.004 0.000 0.754 411 E HN 0.518 nan 8.360 nan 0.000 0.508 412 E N 0.541 120.738 120.200 -0.005 0.000 2.075 412 E HA -0.065 4.284 4.350 -0.001 0.000 0.190 412 E C 1.643 178.240 176.600 -0.005 0.000 0.969 412 E CA 0.150 56.549 56.400 -0.002 0.000 0.815 412 E CB 0.174 29.875 29.700 0.002 0.000 0.776 412 E HN 0.191 nan 8.360 nan 0.000 0.457 413 L N 1.202 122.417 121.223 -0.013 0.000 2.711 413 L HA 0.032 4.371 4.340 -0.001 0.000 0.242 413 L C 2.220 179.080 176.870 -0.017 0.000 1.153 413 L CA 0.186 55.014 54.840 -0.021 0.000 0.898 413 L CB -0.415 41.617 42.059 -0.044 0.000 1.044 413 L HN 0.062 nan 8.230 nan 0.000 0.437 414 K N 1.415 121.809 120.400 -0.011 0.000 2.107 414 K HA -0.065 4.254 4.320 -0.001 0.000 0.211 414 K C 1.761 178.363 176.600 0.002 0.000 1.024 414 K CA 1.030 57.314 56.287 -0.006 0.000 0.953 414 K CB 0.026 32.521 32.500 -0.008 0.000 0.831 414 K HN 0.226 nan 8.250 nan 0.000 0.454 415 E N 0.740 120.941 120.200 0.002 0.000 2.516 415 E HA -0.133 4.217 4.350 -0.001 0.000 0.199 415 E C 1.047 177.652 176.600 0.008 0.000 1.069 415 E CA 0.617 57.020 56.400 0.006 0.000 0.876 415 E CB -0.245 29.458 29.700 0.005 0.000 0.843 415 E HN 0.204 nan 8.360 nan 0.000 0.530 416 N N 0.722 119.427 118.700 0.007 0.000 2.409 416 N HA -0.023 4.717 4.740 -0.001 0.000 0.174 416 N C 1.011 176.530 175.510 0.016 0.000 1.037 416 N CA 1.275 54.331 53.050 0.011 0.000 0.898 416 N CB 0.528 39.021 38.487 0.009 0.000 1.010 416 N HN 0.400 nan 8.380 nan 0.000 0.445 417 G N 0.779 109.587 108.800 0.014 0.000 2.159 417 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.227 417 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.227 417 G C 0.776 175.691 174.900 0.024 0.000 0.986 417 G CA 0.215 45.327 45.100 0.020 0.000 0.651 417 G HN 0.266 nan 8.290 nan 0.000 0.523 418 I N 0.738 121.317 120.570 0.014 0.000 2.716 418 I HA 0.265 4.435 4.170 -0.001 0.000 0.259 418 I C 1.553 177.665 176.117 -0.009 0.000 1.172 418 I CA 1.166 62.474 61.300 0.012 0.000 1.478 418 I CB -0.946 37.047 38.000 -0.012 0.000 1.104 418 I HN 0.588 nan 8.210 nan 0.000 0.439 419 I N -1.428 119.132 120.570 -0.017 0.000 2.894 419 I HA 0.491 4.660 4.170 -0.001 0.000 0.302 419 I C -1.127 174.992 176.117 0.004 0.000 1.188 419 I CA -0.924 60.364 61.300 -0.020 0.000 1.014 419 I CB 3.243 41.209 38.000 -0.056 0.000 1.242 419 I HN -0.264 nan 8.210 nan 0.000 0.430 420 L N 4.271 125.508 121.223 0.023 0.000 2.345 420 L HA 0.500 4.840 4.340 -0.001 0.000 0.274 420 L C -0.874 176.024 176.870 0.046 0.000 0.999 420 L CA -0.372 54.489 54.840 0.035 0.000 0.849 420 L CB 1.396 43.484 42.059 0.048 0.000 1.220 420 L HN 0.847 nan 8.230 nan 0.000 0.422 421 K N 3.745 124.166 120.400 0.035 0.000 2.284 421 K HA 0.558 4.878 4.320 -0.001 0.000 0.287 421 K C 0.072 176.716 176.600 0.073 0.000 1.081 421 K CA 0.081 56.396 56.287 0.048 0.000 0.910 421 K CB 1.093 33.597 32.500 0.006 0.000 1.088 421 K HN 0.898 nan 8.250 nan 0.000 0.478 422 G N 3.334 112.195 108.800 0.102 0.000 3.324 422 G HA2 0.071 4.031 3.960 -0.001 0.000 0.188 422 G HA3 0.071 4.031 3.960 -0.001 0.000 0.188 422 G C -0.759 174.210 174.900 0.115 0.000 1.384 422 G CA -0.503 44.657 45.100 0.100 0.000 0.841 422 G HN 0.569 nan 8.290 nan 0.000 0.758 423 K N 0.717 121.170 120.400 0.089 0.000 2.544 423 K HA 0.095 4.415 4.320 -0.001 0.000 0.274 423 K C -0.110 176.526 176.600 0.060 0.000 0.962 423 K CA 0.993 57.320 56.287 0.067 0.000 0.946 423 K CB 0.224 32.762 32.500 0.065 0.000 0.905 423 K HN 0.355 nan 8.250 nan 0.000 0.521 424 K N 0.931 121.330 120.400 -0.001 0.000 2.349 424 K HA 0.486 4.805 4.320 -0.001 0.000 0.243 424 K C -1.150 175.415 176.600 -0.057 0.000 1.058 424 K CA -0.982 55.259 56.287 -0.078 0.000 0.871 424 K CB 1.776 34.141 32.500 -0.225 0.000 1.337 424 K HN 0.584 nan 8.250 nan 0.000 0.469 425 E N 0.300 120.447 120.200 -0.089 0.000 2.417 425 E HA 0.377 4.726 4.350 -0.001 0.000 0.280 425 E C -1.912 174.605 176.600 -0.139 0.000 1.112 425 E CA -0.568 55.787 56.400 -0.075 0.000 0.863 425 E CB 1.075 30.765 29.700 -0.017 0.000 1.346 425 E HN 0.355 nan 8.360 nan 0.000 0.443 426 I N 1.795 122.275 120.570 -0.149 0.000 2.569 426 I HA 0.564 4.734 4.170 -0.001 0.000 0.296 426 I C -0.914 175.065 176.117 -0.229 0.000 1.028 426 I CA -0.584 60.585 61.300 -0.218 0.000 1.082 426 I CB 1.652 39.558 38.000 -0.157 0.000 1.264 426 I HN 0.481 nan 8.210 nan 0.000 0.429 427 D N 4.274 124.471 120.400 -0.338 0.000 2.977 427 D HA 0.326 4.965 4.640 -0.001 0.000 0.220 427 D C 0.432 176.583 176.300 -0.249 0.000 1.267 427 D CA -0.097 53.741 54.000 -0.269 0.000 0.884 427 D CB 1.392 42.013 40.800 -0.298 0.000 1.667 427 D HN 0.470 nan 8.370 nan 0.000 0.536 428 N N 1.784 120.400 118.700 -0.140 0.000 2.848 428 N HA -0.286 4.454 4.740 -0.001 0.000 0.236 428 N C 0.995 176.437 175.510 -0.113 0.000 0.951 428 N CA 2.088 55.076 53.050 -0.103 0.000 1.021 428 N CB -0.397 38.043 38.487 -0.079 0.000 1.090 428 N HN 0.773 nan 8.380 nan 0.000 0.611 429 G N -1.266 107.437 108.800 -0.161 0.000 2.935 429 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.213 429 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.213 429 G C -0.074 174.724 174.900 -0.169 0.000 0.984 429 G CA 0.198 45.216 45.100 -0.138 0.000 0.790 429 G HN 0.379 nan 8.290 nan 0.000 0.538 430 K N 0.414 120.655 120.400 -0.265 0.000 2.211 430 K HA 0.675 4.995 4.320 -0.001 0.000 0.237 430 K C -0.290 176.080 176.600 -0.383 0.000 1.002 430 K CA -0.768 55.356 56.287 -0.273 0.000 0.885 430 K CB 1.464 33.822 32.500 -0.238 0.000 1.136 430 K HN -0.029 nan 8.250 nan 0.000 0.448 431 K N 1.387 121.655 120.400 -0.220 0.000 2.172 431 K HA 0.270 4.590 4.320 -0.001 0.000 0.276 431 K C -1.048 175.597 176.600 0.076 0.000 1.013 431 K CA -0.300 55.887 56.287 -0.166 0.000 0.913 431 K CB 0.774 33.209 32.500 -0.109 0.000 1.055 431 K HN 0.497 nan 8.250 nan 0.000 0.461 432 Y N 2.529 122.743 120.300 -0.144 0.000 2.327 432 Y HA 0.202 4.752 4.550 -0.001 0.000 0.325 432 Y C -0.671 175.181 175.900 -0.080 0.000 0.999 432 Y CA -1.304 56.746 58.100 -0.083 0.000 1.195 432 Y CB 1.166 39.526 38.460 -0.167 0.000 1.132 432 Y HN 0.483 nan 8.280 nan 0.000 0.455 433 Y N 3.448 123.801 120.300 0.088 0.000 2.304 433 Y HA 0.227 4.776 4.550 -0.001 0.000 0.327 433 Y C 0.132 176.057 175.900 0.042 0.000 1.209 433 Y CA -0.604 57.523 58.100 0.046 0.000 1.299 433 Y CB 0.813 39.285 38.460 0.020 0.000 1.249 433 Y HN 0.376 nan 8.280 nan 0.000 0.519 434 L N 3.595 124.935 121.223 0.196 0.000 2.334 434 L HA 0.581 4.920 4.340 -0.001 0.000 0.270 434 L C -1.343 175.624 176.870 0.161 0.000 1.018 434 L CA -1.299 53.636 54.840 0.159 0.000 0.811 434 L CB 1.142 43.291 42.059 0.150 0.000 1.271 434 L HN 0.554 nan 8.230 nan 0.000 0.443 435 L N 2.281 123.612 121.223 0.180 0.000 2.309 435 L HA 0.477 4.817 4.340 -0.001 0.000 0.282 435 L C -0.360 176.633 176.870 0.204 0.000 1.036 435 L CA -0.587 54.344 54.840 0.153 0.000 0.806 435 L CB 1.761 43.885 42.059 0.108 0.000 1.220 435 L HN 0.663 nan 8.230 nan 0.000 0.429 436 E N 1.647 121.932 120.200 0.142 0.000 2.212 436 E HA 0.617 4.966 4.350 -0.001 0.000 0.270 436 E C -1.117 175.553 176.600 0.117 0.000 0.956 436 E CA -0.242 56.253 56.400 0.158 0.000 0.825 436 E CB 1.899 31.674 29.700 0.124 0.000 1.167 436 E HN 0.424 nan 8.360 nan 0.000 0.400 437 S N 2.797 118.593 115.700 0.160 0.000 2.582 437 S HA 0.164 4.633 4.470 -0.001 0.000 0.296 437 S C -0.370 174.337 174.600 0.177 0.000 1.118 437 S CA -0.647 57.637 58.200 0.139 0.000 0.947 437 S CB 0.195 63.453 63.200 0.095 0.000 1.131 437 S HN 0.695 nan 8.310 nan 0.000 0.453 438 N N 3.015 121.785 118.700 0.116 0.000 2.717 438 N HA -0.109 4.631 4.740 -0.001 0.000 0.197 438 N C 0.533 176.088 175.510 0.076 0.000 1.215 438 N CA 0.091 53.194 53.050 0.088 0.000 0.949 438 N CB -0.105 38.412 38.487 0.049 0.000 0.999 438 N HN 0.568 nan 8.380 nan 0.000 0.448 439 N N 1.835 120.606 118.700 0.119 0.000 2.458 439 N HA -0.114 4.625 4.740 -0.001 0.000 0.258 439 N C 0.185 175.783 175.510 0.146 0.000 1.219 439 N CA 0.419 53.495 53.050 0.042 0.000 0.902 439 N CB 0.702 39.293 38.487 0.173 0.000 1.076 439 N HN 0.322 nan 8.380 nan 0.000 0.455 440 Q N 1.762 121.627 119.800 0.107 0.000 2.237 440 Q HA 0.304 4.644 4.340 -0.001 0.000 0.252 440 Q C -0.164 175.893 176.000 0.094 0.000 0.877 440 Q CA -0.376 55.487 55.803 0.099 0.000 1.011 440 Q CB 0.427 29.198 28.738 0.054 0.000 1.118 440 Q HN 0.352 nan 8.270 nan 0.000 0.458 441 V N -1.325 118.680 119.914 0.151 0.000 3.523 441 V HA 0.219 4.339 4.120 -0.001 0.000 0.273 441 V C -0.949 175.013 176.094 -0.220 0.000 1.675 441 V CA -0.267 62.021 62.300 -0.020 0.000 1.079 441 V CB 0.172 32.010 31.823 0.025 0.000 0.901 441 V HN 0.346 nan 8.190 nan 0.000 0.406 442 Y N 0.546 120.866 120.300 0.033 0.000 2.462 442 Y HA 0.695 5.245 4.550 -0.001 0.000 0.346 442 Y C 0.102 175.959 175.900 -0.073 0.000 0.976 442 Y CA -0.667 57.378 58.100 -0.092 0.000 1.044 442 Y CB 1.991 40.490 38.460 0.064 0.000 1.230 442 Y HN 0.077 nan 8.280 nan 0.000 0.455 443 E N 2.754 122.827 120.200 -0.212 0.000 2.238 443 E HA 0.584 4.934 4.350 -0.001 0.000 0.267 443 E C -1.685 174.835 176.600 -0.133 0.000 0.887 443 E CA -0.809 55.589 56.400 -0.003 0.000 0.769 443 E CB 2.149 31.808 29.700 -0.068 0.000 1.187 443 E HN 0.320 nan 8.360 nan 0.000 0.416 444 F N 0.956 121.147 119.950 0.402 0.000 2.577 444 F HA 0.577 5.103 4.527 -0.001 0.000 0.318 444 F C -0.057 175.975 175.800 0.388 0.000 1.065 444 F CA -1.034 57.233 58.000 0.445 0.000 0.929 444 F CB 1.709 40.846 39.000 0.229 0.000 1.237 444 F HN 0.352 nan 8.300 nan 0.000 0.468 445 R N 1.948 122.688 120.500 0.401 0.000 2.604 445 R HA 0.791 5.130 4.340 -0.001 0.000 0.270 445 R C -2.198 173.997 176.300 -0.175 0.000 1.052 445 R CA -0.817 55.286 56.100 0.006 0.000 0.902 445 R CB 2.425 32.490 30.300 -0.392 0.000 1.233 445 R HN 0.843 nan 8.270 nan 0.000 0.455 446 I N 1.754 122.218 120.570 -0.177 0.000 2.509 446 I HA 0.363 4.533 4.170 -0.001 0.000 0.293 446 I C -0.134 175.880 176.117 -0.172 0.000 1.020 446 I CA -0.511 60.676 61.300 -0.189 0.000 1.088 446 I CB 2.322 40.267 38.000 -0.091 0.000 1.267 446 I HN 0.927 nan 8.210 nan 0.000 0.430 447 S N 4.458 120.049 115.700 -0.183 0.000 2.617 447 S HA 0.036 4.505 4.470 -0.001 0.000 0.255 447 S C 0.517 175.214 174.600 0.163 0.000 1.318 447 S CA 0.394 58.658 58.200 0.107 0.000 0.978 447 S CB 0.940 64.222 63.200 0.138 0.000 0.961 447 S HN 0.900 nan 8.310 nan 0.000 0.582 448 D N -0.717 119.807 120.400 0.206 0.000 2.929 448 D HA 0.033 4.672 4.640 -0.001 0.000 0.291 448 D C 1.694 178.043 176.300 0.081 0.000 1.086 448 D CA 0.469 54.566 54.000 0.162 0.000 0.971 448 D CB -0.412 40.526 40.800 0.230 0.000 1.275 448 D HN 0.756 nan 8.370 nan 0.000 0.469 449 E N 0.628 120.875 120.200 0.078 0.000 2.055 449 E HA -0.206 4.144 4.350 -0.001 0.000 0.209 449 E C 0.067 176.687 176.600 0.034 0.000 1.036 449 E CA 1.369 57.797 56.400 0.047 0.000 0.849 449 E CB -0.025 29.701 29.700 0.043 0.000 0.767 449 E HN 0.270 nan 8.360 nan 0.000 0.461 450 N N 0.690 119.411 118.700 0.036 0.000 2.576 450 N HA 0.049 4.789 4.740 -0.001 0.000 0.269 450 N C -1.343 174.170 175.510 0.005 0.000 1.058 450 N CA -0.417 52.644 53.050 0.018 0.000 0.860 450 N CB 0.519 39.016 38.487 0.017 0.000 1.249 450 N HN 0.052 nan 8.380 nan 0.000 0.525 451 N N 0.647 119.336 118.700 -0.019 0.000 2.988 451 N HA -0.164 4.576 4.740 -0.001 0.000 0.212 451 N C 0.001 175.474 175.510 -0.062 0.000 1.858 451 N CA 0.469 53.489 53.050 -0.049 0.000 0.998 451 N CB -0.291 38.142 38.487 -0.090 0.000 1.440 451 N HN 0.665 nan 8.380 nan 0.000 0.525 452 E N -0.359 119.811 120.200 -0.050 0.000 2.563 452 E HA 0.220 4.570 4.350 -0.001 0.000 0.260 452 E C -0.213 176.323 176.600 -0.107 0.000 1.391 452 E CA 0.026 56.385 56.400 -0.069 0.000 1.079 452 E CB 0.601 30.273 29.700 -0.047 0.000 0.984 452 E HN -0.027 nan 8.360 nan 0.000 0.563 453 V N 0.035 119.883 119.914 -0.110 0.000 3.049 453 V HA 0.302 4.422 4.120 -0.001 0.000 0.309 453 V C -0.895 175.166 176.094 -0.055 0.000 1.148 453 V CA -0.783 61.455 62.300 -0.103 0.000 0.990 453 V CB 2.083 33.843 31.823 -0.105 0.000 1.039 453 V HN 0.617 nan 8.190 nan 0.000 0.430 454 Q N 2.165 121.987 119.800 0.036 0.000 2.511 454 Q HA 0.703 5.043 4.340 -0.001 0.000 0.289 454 Q C -1.787 174.536 176.000 0.538 0.000 1.021 454 Q CA -0.887 55.048 55.803 0.220 0.000 0.785 454 Q CB 3.271 32.111 28.738 0.170 0.000 1.472 454 Q HN 0.882 nan 8.270 nan 0.000 0.411 455 Y N -1.596 118.890 120.300 0.310 0.000 2.705 455 Y HA 0.811 5.360 4.550 -0.001 0.000 0.332 455 Y C -1.642 174.213 175.900 -0.075 0.000 1.221 455 Y CA -1.316 56.807 58.100 0.038 0.000 1.059 455 Y CB 1.914 40.182 38.460 -0.320 0.000 1.298 455 Y HN 0.734 nan 8.280 nan 0.000 0.459 456 K N -0.777 119.305 120.400 -0.530 0.000 2.615 456 K HA 0.382 4.701 4.320 -0.001 0.000 0.291 456 K C -1.593 174.598 176.600 -0.682 0.000 1.017 456 K CA -0.761 55.216 56.287 -0.517 0.000 0.882 456 K CB 1.758 33.738 32.500 -0.867 0.000 1.522 456 K HN 0.768 nan 8.250 nan 0.000 0.412 457 T N -0.171 113.942 114.554 -0.735 0.000 2.752 457 T HA 0.163 4.512 4.350 -0.001 0.000 0.295 457 T C 0.127 174.515 174.700 -0.520 0.000 0.923 457 T CA -0.655 60.973 62.100 -0.785 0.000 1.112 457 T CB 0.389 68.794 68.868 -0.771 0.000 0.884 457 T HN 0.509 nan 8.240 nan 0.000 0.525 458 K N 2.880 123.021 120.400 -0.433 0.000 2.600 458 K HA -0.105 4.214 4.320 -0.001 0.000 0.280 458 K C 1.314 177.778 176.600 -0.227 0.000 0.971 458 K CA 0.426 56.550 56.287 -0.272 0.000 1.053 458 K CB 0.304 32.703 32.500 -0.168 0.000 0.856 458 K HN 0.744 nan 8.250 nan 0.000 0.495 459 E N 0.669 120.772 120.200 -0.162 0.000 2.448 459 E HA -0.156 4.193 4.350 -0.001 0.000 0.203 459 E C 0.752 177.290 176.600 -0.104 0.000 1.046 459 E CA 0.824 57.152 56.400 -0.121 0.000 0.871 459 E CB 0.047 29.706 29.700 -0.069 0.000 0.790 459 E HN 0.664 nan 8.360 nan 0.000 0.545 460 G N 0.606 109.342 108.800 -0.107 0.000 4.951 460 G HA2 0.303 4.263 3.960 -0.001 0.000 0.282 460 G HA3 0.303 4.263 3.960 -0.001 0.000 0.282 460 G C -0.428 174.410 174.900 -0.103 0.000 1.301 460 G CA -0.334 44.714 45.100 -0.088 0.000 0.975 460 G HN -0.129 nan 8.290 nan 0.000 0.589 461 K N -0.204 120.109 120.400 -0.144 0.000 2.755 461 K HA 0.613 4.932 4.320 -0.001 0.000 0.294 461 K C -1.856 174.617 176.600 -0.212 0.000 1.060 461 K CA -0.663 55.529 56.287 -0.158 0.000 0.845 461 K CB 1.079 33.485 32.500 -0.157 0.000 1.539 461 K HN 0.055 nan 8.250 nan 0.000 0.379 462 I N -0.525 119.918 120.570 -0.211 0.000 3.322 462 I HA 0.522 4.692 4.170 -0.001 0.000 0.313 462 I C -0.824 175.132 176.117 -0.268 0.000 1.129 462 I CA -0.848 60.306 61.300 -0.243 0.000 0.963 462 I CB 2.552 40.453 38.000 -0.165 0.000 1.273 462 I HN 0.550 nan 8.210 nan 0.000 0.473 463 T N 2.625 117.020 114.554 -0.264 0.000 2.771 463 T HA 0.171 4.520 4.350 -0.001 0.000 0.291 463 T C 1.358 176.007 174.700 -0.085 0.000 0.954 463 T CA -0.348 61.639 62.100 -0.188 0.000 1.045 463 T CB 1.336 70.079 68.868 -0.208 0.000 0.917 463 T HN 0.499 nan 8.240 nan 0.000 0.484 464 V N 3.197 123.085 119.914 -0.043 0.000 2.357 464 V HA -0.233 3.887 4.120 -0.001 0.000 0.257 464 V C 1.980 178.056 176.094 -0.031 0.000 1.082 464 V CA 1.762 64.032 62.300 -0.050 0.000 1.078 464 V CB -1.135 30.650 31.823 -0.064 0.000 0.663 464 V HN 0.659 nan 8.190 nan 0.000 0.455 465 L N 1.242 122.461 121.223 -0.007 0.000 2.005 465 L HA 0.382 4.721 4.340 -0.001 0.000 0.207 465 L C 1.972 178.832 176.870 -0.016 0.000 1.072 465 L CA 2.356 57.197 54.840 0.001 0.000 0.744 465 L CB -0.978 41.097 42.059 0.028 0.000 0.895 465 L HN 0.742 nan 8.230 nan 0.000 0.433 466 G N -1.131 107.649 108.800 -0.032 0.000 2.925 466 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.224 466 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.224 466 G C -0.242 174.623 174.900 -0.058 0.000 1.015 466 G CA -0.647 44.425 45.100 -0.046 0.000 1.026 466 G HN 0.220 nan 8.290 nan 0.000 0.608 467 E N 0.136 120.280 120.200 -0.095 0.000 2.235 467 E HA 0.706 5.056 4.350 -0.001 0.000 0.265 467 E C -0.472 175.956 176.600 -0.286 0.000 0.940 467 E CA -0.961 55.362 56.400 -0.128 0.000 0.819 467 E CB 2.239 31.898 29.700 -0.068 0.000 1.206 467 E HN 0.081 nan 8.360 nan 0.000 0.409 468 K N 2.849 123.079 120.400 -0.283 0.000 2.790 468 K HA 0.185 4.505 4.320 -0.001 0.000 0.253 468 K C -1.741 174.701 176.600 -0.263 0.000 1.082 468 K CA -0.356 55.705 56.287 -0.377 0.000 1.067 468 K CB 0.275 32.632 32.500 -0.239 0.000 1.284 468 K HN 0.388 nan 8.250 nan 0.000 0.529 469 F N -0.088 119.729 119.950 -0.222 0.000 2.523 469 F HA 0.616 5.143 4.527 -0.001 0.000 0.329 469 F C -0.488 175.146 175.800 -0.278 0.000 1.061 469 F CA -1.440 56.442 58.000 -0.198 0.000 0.967 469 F CB 0.787 39.697 39.000 -0.150 0.000 1.218 469 F HN 0.101 nan 8.300 nan 0.000 0.480 470 N N 1.196 119.988 118.700 0.153 0.000 2.399 470 N HA 0.206 4.946 4.740 -0.001 0.000 0.295 470 N C -1.430 174.127 175.510 0.077 0.000 1.048 470 N CA -0.445 52.596 53.050 -0.015 0.000 0.886 470 N CB 1.014 39.507 38.487 0.009 0.000 1.185 470 N HN 0.787 nan 8.380 nan 0.000 0.487 471 W N 2.076 123.419 121.300 0.072 0.000 2.893 471 W HA -0.263 4.396 4.660 -0.001 0.000 0.341 471 W C 0.488 177.021 176.519 0.023 0.000 0.675 471 W CA 0.343 57.725 57.345 0.062 0.000 0.506 471 W CB -0.397 29.113 29.460 0.083 0.000 2.364 471 W HN 0.229 nan 8.180 nan 0.000 0.468 472 R N 2.131 122.787 120.500 0.261 0.000 2.795 472 R HA 0.300 4.640 4.340 -0.001 0.000 0.275 472 R C -0.438 175.968 176.300 0.176 0.000 0.981 472 R CA -1.583 54.591 56.100 0.122 0.000 0.917 472 R CB 1.262 31.502 30.300 -0.100 0.000 1.202 472 R HN 0.193 nan 8.270 nan 0.000 0.469 473 N N 1.382 120.129 118.700 0.078 0.000 2.483 473 N HA 0.106 4.846 4.740 -0.001 0.000 0.264 473 N C -0.389 175.109 175.510 -0.021 0.000 1.197 473 N CA 0.088 53.154 53.050 0.025 0.000 0.927 473 N CB 0.534 39.022 38.487 0.002 0.000 1.065 473 N HN 0.373 nan 8.380 nan 0.000 0.461 474 I N 1.971 122.479 120.570 -0.104 0.000 2.421 474 I HA -0.021 4.148 4.170 -0.001 0.000 0.291 474 I C 0.281 176.323 176.117 -0.125 0.000 1.089 474 I CA 0.048 61.213 61.300 -0.225 0.000 1.354 474 I CB 0.165 37.953 38.000 -0.353 0.000 1.413 474 I HN 0.444 nan 8.210 nan 0.000 0.513 475 E N 5.445 125.614 120.200 -0.052 0.000 2.231 475 E HA 0.443 4.792 4.350 -0.001 0.000 0.277 475 E C -0.561 176.072 176.600 0.056 0.000 0.999 475 E CA -0.532 55.870 56.400 0.003 0.000 0.827 475 E CB 1.932 31.639 29.700 0.011 0.000 1.101 475 E HN 0.429 nan 8.360 nan 0.000 0.393 476 V N -1.027 118.927 119.914 0.066 0.000 3.158 476 V HA 0.557 4.676 4.120 -0.001 0.000 0.315 476 V C -0.304 175.861 176.094 0.118 0.000 1.148 476 V CA -1.264 61.104 62.300 0.114 0.000 1.042 476 V CB 1.679 33.613 31.823 0.185 0.000 1.101 476 V HN 0.506 nan 8.190 nan 0.000 0.448 477 M N 1.881 121.549 119.600 0.113 0.000 2.249 477 M HA 0.800 5.279 4.480 -0.001 0.000 0.351 477 M C -0.082 176.244 176.300 0.042 0.000 1.180 477 M CA -0.135 55.214 55.300 0.081 0.000 1.127 477 M CB 0.843 33.483 32.600 0.066 0.000 1.546 477 M HN 1.176 nan 8.290 nan 0.000 0.461 478 A N 2.947 125.779 122.820 0.020 0.000 2.488 478 A HA 0.659 4.979 4.320 -0.001 0.000 0.298 478 A C -0.501 177.075 177.584 -0.014 0.000 1.044 478 A CA -0.951 51.086 52.037 -0.000 0.000 0.693 478 A CB 1.657 20.661 19.000 0.007 0.000 1.272 478 A HN 0.847 nan 8.150 nan 0.000 0.402 479 K N 0.860 121.244 120.400 -0.027 0.000 2.526 479 K HA 0.594 4.913 4.320 -0.001 0.000 0.256 479 K C 0.009 176.594 176.600 -0.026 0.000 1.035 479 K CA -0.689 55.580 56.287 -0.030 0.000 1.011 479 K CB 0.455 32.928 32.500 -0.045 0.000 1.343 479 K HN 0.518 nan 8.250 nan 0.000 0.510 480 N N -0.678 118.008 118.700 -0.023 0.000 2.518 480 N HA 0.259 4.999 4.740 -0.001 0.000 0.283 480 N C -1.636 173.858 175.510 -0.027 0.000 1.119 480 N CA -0.639 52.399 53.050 -0.021 0.000 0.983 480 N CB 1.256 39.736 38.487 -0.012 0.000 1.139 480 N HN 0.415 nan 8.380 nan 0.000 0.465 481 V N 2.559 122.454 119.914 -0.032 0.000 2.763 481 V HA 0.302 4.422 4.120 -0.001 0.000 0.257 481 V C -0.932 175.139 176.094 -0.039 0.000 0.906 481 V CA -0.745 61.531 62.300 -0.041 0.000 0.894 481 V CB 0.674 32.460 31.823 -0.063 0.000 1.052 481 V HN 0.813 nan 8.190 nan 0.000 0.491 482 E N 1.862 122.045 120.200 -0.028 0.000 2.264 482 E HA -0.196 4.154 4.350 -0.001 0.000 0.223 482 E C 1.142 177.728 176.600 -0.023 0.000 1.220 482 E CA 1.089 57.475 56.400 -0.024 0.000 0.692 482 E CB -1.432 28.250 29.700 -0.030 0.000 1.203 482 E HN 1.884 nan 8.360 nan 0.000 0.384 483 G N -1.080 107.709 108.800 -0.018 0.000 2.305 483 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.287 483 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.287 483 G C 0.219 175.107 174.900 -0.019 0.000 1.036 483 G CA 0.430 45.520 45.100 -0.016 0.000 0.887 483 G HN 0.904 nan 8.290 nan 0.000 0.505 484 V N -2.121 117.779 119.914 -0.023 0.000 2.752 484 V HA 0.557 4.677 4.120 -0.001 0.000 0.302 484 V C 0.055 176.134 176.094 -0.025 0.000 1.133 484 V CA -1.364 60.922 62.300 -0.024 0.000 0.919 484 V CB 1.880 33.685 31.823 -0.030 0.000 1.026 484 V HN 0.162 nan 8.190 nan 0.000 0.429 485 L N 4.435 125.646 121.223 -0.020 0.000 2.448 485 L HA 0.326 4.666 4.340 -0.001 0.000 0.278 485 L C 0.674 177.534 176.870 -0.015 0.000 1.201 485 L CA 0.734 55.563 54.840 -0.017 0.000 1.036 485 L CB -0.346 41.705 42.059 -0.013 0.000 1.325 485 L HN 0.573 nan 8.230 nan 0.000 0.441 486 K N 5.324 125.709 120.400 -0.025 0.000 2.205 486 K HA 0.329 4.649 4.320 -0.001 0.000 0.279 486 K C -2.165 174.423 176.600 -0.020 0.000 1.027 486 K CA -1.715 54.556 56.287 -0.027 0.000 0.932 486 K CB 0.765 33.233 32.500 -0.053 0.000 1.032 486 K HN 0.220 nan 8.250 nan 0.000 0.466 487 P HA -0.050 nan 4.420 nan 0.000 0.267 487 P C -0.700 176.551 177.300 -0.082 0.000 1.200 487 P CA 0.331 63.436 63.100 0.008 0.000 0.772 487 P CB 0.657 32.420 31.700 0.105 0.000 0.855 488 L N 1.888 123.065 121.223 -0.076 0.000 2.322 488 L HA 0.550 4.890 4.340 -0.001 0.000 0.279 488 L C 1.058 177.825 176.870 -0.171 0.000 1.036 488 L CA -0.153 54.623 54.840 -0.106 0.000 0.807 488 L CB 1.772 43.796 42.059 -0.058 0.000 1.226 488 L HN 0.465 nan 8.230 nan 0.000 0.433 489 T N 1.122 115.574 114.554 -0.169 0.000 2.778 489 T HA 0.638 4.987 4.350 -0.001 0.000 0.293 489 T C -0.636 173.993 174.700 -0.119 0.000 1.144 489 T CA -0.174 61.821 62.100 -0.175 0.000 1.010 489 T CB 1.585 70.301 68.868 -0.253 0.000 1.325 489 T HN 0.686 nan 8.240 nan 0.000 0.515 490 A N 2.329 125.094 122.820 -0.092 0.000 2.609 490 A HA 0.390 4.710 4.320 -0.001 0.000 0.232 490 A C 0.345 177.854 177.584 -0.125 0.000 1.041 490 A CA 0.526 52.528 52.037 -0.059 0.000 0.753 490 A CB -0.445 18.544 19.000 -0.019 0.000 0.966 490 A HN 0.817 nan 8.150 nan 0.000 0.510 491 D N -0.109 120.238 120.400 -0.089 0.000 2.592 491 D HA 0.446 5.086 4.640 -0.001 0.000 0.259 491 D C -1.174 175.091 176.300 -0.059 0.000 1.144 491 D CA -0.506 53.380 54.000 -0.191 0.000 1.080 491 D CB 0.218 40.930 40.800 -0.147 0.000 1.225 491 D HN 0.332 nan 8.370 nan 0.000 0.619 492 Y N 0.135 120.458 120.300 0.039 0.000 2.434 492 Y HA 0.242 4.792 4.550 -0.001 0.000 0.341 492 Y C -0.193 175.780 175.900 0.123 0.000 0.965 492 Y CA -0.982 57.218 58.100 0.166 0.000 1.205 492 Y CB 0.597 39.231 38.460 0.291 0.000 1.121 492 Y HN 0.085 nan 8.280 nan 0.000 0.507 493 D N 5.637 126.254 120.400 0.362 0.000 2.428 493 D HA 0.214 4.854 4.640 -0.001 0.000 0.221 493 D C 0.020 176.428 176.300 0.180 0.000 1.123 493 D CA -0.230 53.978 54.000 0.348 0.000 0.869 493 D CB 1.627 42.645 40.800 0.364 0.000 1.032 493 D HN 0.436 nan 8.370 nan 0.000 0.506 494 L N 1.717 122.927 121.223 -0.022 0.000 2.485 494 L HA -0.011 4.328 4.340 -0.001 0.000 0.275 494 L C 1.361 178.212 176.870 -0.032 0.000 1.207 494 L CA -0.258 54.416 54.840 -0.276 0.000 0.855 494 L CB 0.332 42.169 42.059 -0.369 0.000 1.114 494 L HN 0.397 nan 8.230 nan 0.000 0.485 495 F N 2.416 122.293 119.950 -0.121 0.000 2.569 495 F HA 0.426 4.952 4.527 -0.001 0.000 0.295 495 F C 0.773 176.524 175.800 -0.082 0.000 1.115 495 F CA 0.323 58.316 58.000 -0.011 0.000 1.450 495 F CB 0.369 39.426 39.000 0.094 0.000 1.107 495 F HN 0.534 nan 8.300 nan 0.000 0.563 496 A N 0.125 123.004 122.820 0.099 0.000 2.592 496 A HA 0.459 4.778 4.320 -0.001 0.000 0.300 496 A C -1.967 175.594 177.584 -0.039 0.000 0.994 496 A CA -0.747 51.240 52.037 -0.083 0.000 0.707 496 A CB -0.097 18.857 19.000 -0.076 0.000 1.273 496 A HN 0.094 nan 8.150 nan 0.000 0.413 497 L N 1.301 122.490 121.223 -0.057 0.000 2.313 497 L HA 0.722 5.062 4.340 -0.001 0.000 0.283 497 L C 0.498 177.508 176.870 0.234 0.000 1.013 497 L CA -0.615 54.308 54.840 0.138 0.000 0.816 497 L CB 2.002 44.208 42.059 0.246 0.000 1.236 497 L HN 1.054 nan 8.230 nan 0.000 0.419 498 A N 5.837 128.803 122.820 0.243 0.000 2.654 498 A HA 0.578 4.897 4.320 -0.001 0.000 0.345 498 A C -2.427 175.188 177.584 0.051 0.000 1.368 498 A CA -1.433 50.733 52.037 0.215 0.000 0.895 498 A CB -0.158 19.045 19.000 0.338 0.000 1.143 498 A HN 0.326 nan 8.150 nan 0.000 0.490 499 P HA 0.131 nan 4.420 nan 0.000 0.272 499 P C 0.199 177.213 177.300 -0.477 0.000 1.240 499 P CA 0.060 62.899 63.100 -0.436 0.000 0.791 499 P CB 1.026 32.190 31.700 -0.893 0.000 0.978 500 S N 1.477 116.800 115.700 -0.629 0.000 2.499 500 S HA 0.122 4.592 4.470 -0.001 0.000 0.275 500 S C 1.566 175.978 174.600 -0.313 0.000 1.257 500 S CA -0.716 57.062 58.200 -0.704 0.000 1.050 500 S CB -0.026 62.770 63.200 -0.674 0.000 0.937 500 S HN 0.436 nan 8.310 nan 0.000 0.490 501 L N 3.046 124.188 121.223 -0.135 0.000 2.085 501 L HA -0.227 4.112 4.340 -0.001 0.000 0.218 501 L C 2.917 179.718 176.870 -0.114 0.000 1.080 501 L CA 2.283 57.077 54.840 -0.078 0.000 0.776 501 L CB -1.102 40.966 42.059 0.015 0.000 0.891 501 L HN 1.065 nan 8.230 nan 0.000 0.437 502 T N -4.186 110.303 114.554 -0.110 0.000 2.929 502 T HA -0.243 4.107 4.350 -0.001 0.000 0.271 502 T C 1.529 176.131 174.700 -0.163 0.000 1.085 502 T CA 1.403 63.432 62.100 -0.118 0.000 1.125 502 T CB -0.165 68.654 68.868 -0.083 0.000 0.874 502 T HN 0.336 nan 8.240 nan 0.000 0.494 503 E N 1.080 121.156 120.200 -0.207 0.000 2.046 503 E HA 0.023 4.373 4.350 -0.001 0.000 0.190 503 E C 1.811 178.273 176.600 -0.230 0.000 0.982 503 E CA 0.575 56.841 56.400 -0.222 0.000 0.800 503 E CB -0.507 29.025 29.700 -0.280 0.000 0.756 503 E HN 0.451 nan 8.360 nan 0.000 0.449 504 I N 1.358 121.770 120.570 -0.263 0.000 2.335 504 I HA -0.233 3.937 4.170 -0.001 0.000 0.251 504 I C 2.111 178.124 176.117 -0.174 0.000 1.129 504 I CA 1.157 62.320 61.300 -0.228 0.000 1.402 504 I CB -0.655 37.224 38.000 -0.202 0.000 1.069 504 I HN 0.082 nan 8.210 nan 0.000 0.424 505 K N 1.579 121.861 120.400 -0.197 0.000 2.032 505 K HA -0.201 4.119 4.320 -0.001 0.000 0.209 505 K C 1.916 178.346 176.600 -0.284 0.000 1.048 505 K CA 1.769 57.891 56.287 -0.274 0.000 0.927 505 K CB -0.297 32.024 32.500 -0.299 0.000 0.712 505 K HN 0.234 nan 8.250 nan 0.000 0.441 506 K N -0.019 120.250 120.400 -0.219 0.000 2.209 506 K HA -0.185 4.135 4.320 -0.001 0.000 0.204 506 K C 2.238 178.746 176.600 -0.154 0.000 1.048 506 K CA 1.453 57.634 56.287 -0.178 0.000 0.940 506 K CB -0.088 32.331 32.500 -0.136 0.000 0.729 506 K HN 0.282 nan 8.250 nan 0.000 0.451 507 Q N 1.288 121.001 119.800 -0.145 0.000 2.046 507 Q HA -0.053 4.287 4.340 -0.001 0.000 0.200 507 Q C 0.289 176.156 176.000 -0.221 0.000 0.975 507 Q CA 0.973 56.725 55.803 -0.086 0.000 0.836 507 Q CB 0.041 28.780 28.738 0.002 0.000 0.896 507 Q HN 0.204 nan 8.270 nan 0.000 0.428 508 I N 3.354 123.689 120.570 -0.391 0.000 2.752 508 I HA 0.064 4.233 4.170 -0.001 0.000 0.287 508 I C -1.919 173.934 176.117 -0.439 0.000 1.188 508 I CA -1.569 59.286 61.300 -0.742 0.000 1.427 508 I CB 0.379 38.091 38.000 -0.480 0.000 1.365 508 I HN 0.245 nan 8.210 nan 0.000 0.585 509 P HA 0.126 nan 4.420 nan 0.000 0.297 509 P C -0.093 177.176 177.300 -0.051 0.000 1.342 509 P CA -0.523 62.489 63.100 -0.147 0.000 0.801 509 P CB 1.495 33.157 31.700 -0.064 0.000 0.920 510 Q N 2.895 122.678 119.800 -0.029 0.000 2.188 510 Q HA -0.258 4.082 4.340 -0.001 0.000 0.217 510 Q C 1.560 177.621 176.000 0.100 0.000 1.018 510 Q CA 2.173 58.002 55.803 0.045 0.000 0.910 510 Q CB -0.609 28.140 28.738 0.019 0.000 0.979 510 Q HN 0.582 nan 8.270 nan 0.000 0.413 511 K N 0.616 121.054 120.400 0.063 0.000 2.000 511 K HA -0.201 4.118 4.320 -0.001 0.000 0.218 511 K C 2.135 178.785 176.600 0.083 0.000 1.053 511 K CA 1.850 58.176 56.287 0.066 0.000 0.946 511 K CB -0.234 32.297 32.500 0.052 0.000 0.723 511 K HN 0.336 nan 8.250 nan 0.000 0.446 512 E N -0.456 119.800 120.200 0.093 0.000 2.110 512 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 512 E C 1.899 178.568 176.600 0.115 0.000 0.988 512 E CA 1.102 57.566 56.400 0.107 0.000 0.804 512 E CB -0.161 29.634 29.700 0.159 0.000 0.745 512 E HN 0.396 nan 8.360 nan 0.000 0.458 513 W N 2.035 123.317 121.300 -0.031 0.000 2.381 513 W HA -0.163 4.497 4.660 -0.001 0.000 0.301 513 W C 1.787 178.298 176.519 -0.013 0.000 1.205 513 W CA 1.647 58.974 57.345 -0.029 0.000 1.285 513 W CB -0.133 29.290 29.460 -0.063 0.000 1.133 513 W HN -0.009 nan 8.180 nan 0.000 0.521 514 D N -0.147 120.375 120.400 0.204 0.000 2.117 514 D HA -0.227 4.413 4.640 -0.001 0.000 0.197 514 D C 1.961 178.235 176.300 -0.042 0.000 0.987 514 D CA 1.449 55.501 54.000 0.088 0.000 0.829 514 D CB -0.371 40.499 40.800 0.117 0.000 0.961 514 D HN 0.045 nan 8.370 nan 0.000 0.460 515 K N 0.018 120.405 120.400 -0.022 0.000 2.442 515 K HA -0.068 4.251 4.320 -0.001 0.000 0.198 515 K C 1.115 177.657 176.600 -0.097 0.000 1.044 515 K CA 0.549 56.812 56.287 -0.041 0.000 0.948 515 K CB 0.261 32.756 32.500 -0.008 0.000 0.762 515 K HN 0.065 nan 8.250 nan 0.000 0.472 516 V N 0.145 119.946 119.914 -0.189 0.000 3.263 516 V HA -0.099 4.020 4.120 -0.001 0.000 0.248 516 V C 1.928 177.829 176.094 -0.323 0.000 1.145 516 V CA 0.886 63.036 62.300 -0.251 0.000 1.107 516 V CB 0.941 32.575 31.823 -0.314 0.000 0.797 516 V HN 0.275 nan 8.190 nan 0.000 0.467 517 V N -1.894 117.762 119.914 -0.430 0.000 2.788 517 V HA 0.084 4.204 4.120 -0.001 0.000 0.251 517 V C 1.045 177.030 176.094 -0.182 0.000 1.068 517 V CA 1.196 63.269 62.300 -0.379 0.000 1.090 517 V CB -1.063 30.461 31.823 -0.499 0.000 0.710 517 V HN 0.597 nan 8.190 nan 0.000 0.467 518 N N 1.572 120.191 118.700 -0.134 0.000 3.243 518 N HA 0.176 4.916 4.740 -0.001 0.000 0.310 518 N C -0.057 175.413 175.510 -0.067 0.000 1.313 518 N CA 0.088 53.094 53.050 -0.072 0.000 1.204 518 N CB 0.156 38.617 38.487 -0.045 0.000 1.483 518 N HN 0.499 nan 8.380 nan 0.000 0.553 519 T N -0.094 114.413 114.554 -0.077 0.000 2.916 519 T HA 0.381 4.731 4.350 -0.001 0.000 0.292 519 T C -1.504 173.168 174.700 -0.046 0.000 1.055 519 T CA -1.813 60.250 62.100 -0.062 0.000 1.009 519 T CB 1.666 70.488 68.868 -0.078 0.000 1.118 519 T HN 0.066 nan 8.240 nan 0.000 0.497 520 P HA 0.092 nan 4.420 nan 0.000 0.204 520 P C 0.178 177.464 177.300 -0.023 0.000 1.214 520 P CA 0.015 63.102 63.100 -0.023 0.000 0.902 520 P CB -0.257 31.433 31.700 -0.016 0.000 0.733 521 N N 1.103 119.790 118.700 -0.022 0.000 2.160 521 N HA -0.064 4.676 4.740 -0.001 0.000 0.283 521 N C 1.118 176.611 175.510 -0.029 0.000 1.363 521 N CA 0.382 53.418 53.050 -0.023 0.000 0.848 521 N CB 0.356 38.827 38.487 -0.028 0.000 1.127 521 N HN 0.079 nan 8.380 nan 0.000 0.493 522 S N 3.239 118.927 115.700 -0.021 0.000 2.383 522 S HA -0.157 4.313 4.470 -0.001 0.000 0.227 522 S C 1.782 176.368 174.600 -0.024 0.000 1.026 522 S CA 0.365 58.553 58.200 -0.020 0.000 0.981 522 S CB -0.030 63.165 63.200 -0.007 0.000 0.818 522 S HN 0.589 nan 8.310 nan 0.000 0.472 523 L N 2.192 123.399 121.223 -0.025 0.000 2.083 523 L HA -0.007 4.333 4.340 -0.001 0.000 0.209 523 L C 2.170 179.020 176.870 -0.033 0.000 1.083 523 L CA 1.828 56.651 54.840 -0.029 0.000 0.752 523 L CB -0.705 41.328 42.059 -0.044 0.000 0.899 523 L HN 0.346 nan 8.230 nan 0.000 0.433 524 E N -0.574 119.603 120.200 -0.039 0.000 2.208 524 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 524 E C 2.093 178.662 176.600 -0.051 0.000 0.988 524 E CA 0.609 56.984 56.400 -0.042 0.000 0.828 524 E CB -0.126 29.549 29.700 -0.042 0.000 0.763 524 E HN 0.487 nan 8.360 nan 0.000 0.478 525 K N 0.555 120.921 120.400 -0.057 0.000 2.442 525 K HA -0.207 4.113 4.320 -0.001 0.000 0.198 525 K C 1.965 178.522 176.600 -0.071 0.000 1.044 525 K CA 1.157 57.395 56.287 -0.082 0.000 0.948 525 K CB 0.083 32.536 32.500 -0.079 0.000 0.762 525 K HN 0.218 nan 8.250 nan 0.000 0.472 526 Q N 0.409 120.185 119.800 -0.040 0.000 2.159 526 Q HA -0.073 4.266 4.340 -0.001 0.000 0.194 526 Q C 1.994 177.985 176.000 -0.014 0.000 0.968 526 Q CA 0.609 56.401 55.803 -0.017 0.000 0.837 526 Q CB 0.045 28.782 28.738 -0.002 0.000 0.920 526 Q HN 0.096 nan 8.270 nan 0.000 0.485 527 K N -0.215 120.174 120.400 -0.017 0.000 2.074 527 K HA -0.172 4.147 4.320 -0.001 0.000 0.209 527 K C 1.890 178.480 176.600 -0.017 0.000 1.048 527 K CA 1.571 57.851 56.287 -0.012 0.000 0.926 527 K CB -0.482 32.007 32.500 -0.018 0.000 0.713 527 K HN 0.397 nan 8.250 nan 0.000 0.444 528 G N 0.222 108.998 108.800 -0.039 0.000 2.422 528 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.218 528 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.218 528 G C 1.442 176.310 174.900 -0.053 0.000 1.146 528 G CA 0.878 45.945 45.100 -0.056 0.000 0.769 528 G HN 0.210 nan 8.290 nan 0.000 0.547 529 V N 0.682 120.566 119.914 -0.050 0.000 2.273 529 V HA -0.120 3.999 4.120 -0.001 0.000 0.242 529 V C 3.122 179.259 176.094 0.071 0.000 1.035 529 V CA 2.262 64.560 62.300 -0.004 0.000 1.013 529 V CB -0.942 30.887 31.823 0.010 0.000 0.652 529 V HN 0.366 nan 8.190 nan 0.000 0.452 530 T N 0.595 115.182 114.554 0.056 0.000 2.699 530 T HA -0.223 4.126 4.350 -0.001 0.000 0.268 530 T C 1.831 176.572 174.700 0.068 0.000 1.036 530 T CA 1.755 63.896 62.100 0.067 0.000 1.147 530 T CB -0.456 68.441 68.868 0.048 0.000 0.862 530 T HN 0.370 nan 8.240 nan 0.000 0.446 531 N N 1.037 119.766 118.700 0.049 0.000 2.205 531 N HA -0.014 4.726 4.740 -0.001 0.000 0.186 531 N C 1.825 177.386 175.510 0.086 0.000 1.015 531 N CA 0.808 53.885 53.050 0.044 0.000 0.862 531 N CB -0.421 38.081 38.487 0.024 0.000 0.986 531 N HN 0.371 nan 8.380 nan 0.000 0.429 532 L N 0.559 121.861 121.223 0.132 0.000 2.044 532 L HA -0.072 4.268 4.340 -0.001 0.000 0.205 532 L C 2.228 179.259 176.870 0.268 0.000 1.075 532 L CA 0.571 55.561 54.840 0.251 0.000 0.747 532 L CB -0.337 41.889 42.059 0.278 0.000 0.903 532 L HN 0.202 nan 8.230 nan 0.000 0.435 533 L N 0.179 121.520 121.223 0.198 0.000 2.261 533 L HA -0.205 4.135 4.340 -0.001 0.000 0.216 533 L C 2.098 179.051 176.870 0.138 0.000 1.114 533 L CA 1.825 56.764 54.840 0.166 0.000 0.777 533 L CB -0.458 41.681 42.059 0.133 0.000 0.910 533 L HN 0.265 nan 8.230 nan 0.000 0.440 534 I N -0.823 119.812 120.570 0.108 0.000 2.385 534 I HA -0.162 4.007 4.170 -0.001 0.000 0.244 534 I C 2.479 178.619 176.117 0.039 0.000 1.089 534 I CA 0.205 61.541 61.300 0.061 0.000 1.410 534 I CB -0.446 37.570 38.000 0.026 0.000 1.117 534 I HN 0.079 nan 8.210 nan 0.000 0.429 535 K N 1.462 121.873 120.400 0.018 0.000 2.015 535 K HA -0.241 4.078 4.320 -0.001 0.000 0.220 535 K C 1.982 178.475 176.600 -0.178 0.000 1.055 535 K CA 2.286 58.502 56.287 -0.119 0.000 0.951 535 K CB -0.591 31.813 32.500 -0.160 0.000 0.725 535 K HN 0.298 nan 8.250 nan 0.000 0.449 536 Y N -1.298 119.052 120.300 0.083 0.000 2.511 536 Y HA 0.137 4.687 4.550 -0.001 0.000 0.279 536 Y C 1.985 177.977 175.900 0.153 0.000 1.157 536 Y CA 0.703 58.868 58.100 0.107 0.000 1.300 536 Y CB 0.541 39.052 38.460 0.086 0.000 1.052 536 Y HN 0.311 nan 8.280 nan 0.000 0.529 537 G N -1.845 107.110 108.800 0.258 0.000 3.040 537 G HA2 0.157 4.117 3.960 -0.001 0.000 0.214 537 G HA3 0.157 4.117 3.960 -0.001 0.000 0.214 537 G C 0.959 176.047 174.900 0.313 0.000 1.093 537 G CA 0.037 45.291 45.100 0.257 0.000 0.931 537 G HN 0.302 nan 8.290 nan 0.000 0.632 538 I N 0.008 120.685 120.570 0.179 0.000 4.244 538 I HA 0.212 4.381 4.170 -0.001 0.000 0.318 538 I C 0.753 176.825 176.117 -0.074 0.000 1.282 538 I CA -0.089 61.257 61.300 0.076 0.000 1.276 538 I CB 0.808 38.826 38.000 0.030 0.000 1.183 538 I HN 0.037 nan 8.210 nan 0.000 0.431 539 E N 3.029 123.205 120.200 -0.040 0.000 2.415 539 E HA 0.072 4.422 4.350 -0.001 0.000 0.263 539 E C -0.201 176.319 176.600 -0.134 0.000 0.995 539 E CA 0.111 56.448 56.400 -0.105 0.000 0.915 539 E CB 0.531 30.177 29.700 -0.090 0.000 0.951 539 E HN 0.138 nan 8.360 nan 0.000 0.449 540 R N 4.053 124.440 120.500 -0.188 0.000 2.352 540 R HA 0.206 4.546 4.340 -0.001 0.000 0.304 540 R C -0.545 175.664 176.300 -0.152 0.000 1.104 540 R CA -0.776 55.208 56.100 -0.194 0.000 0.991 540 R CB 0.891 31.032 30.300 -0.265 0.000 1.140 540 R HN 0.343 nan 8.270 nan 0.000 0.540 541 K N 2.906 123.231 120.400 -0.125 0.000 2.107 541 K HA 0.397 4.716 4.320 -0.001 0.000 0.251 541 K C -2.270 174.274 176.600 -0.093 0.000 1.012 541 K CA -1.815 54.412 56.287 -0.100 0.000 0.920 541 K CB 0.687 33.137 32.500 -0.084 0.000 1.033 541 K HN 0.270 nan 8.250 nan 0.000 0.478 542 P HA 0.255 nan 4.420 nan 0.000 0.283 542 P C -0.980 176.288 177.300 -0.052 0.000 1.278 542 P CA -0.248 62.814 63.100 -0.064 0.000 0.834 542 P CB 1.211 32.879 31.700 -0.053 0.000 1.150 543 D N -1.081 119.294 120.400 -0.042 0.000 2.645 543 D HA 0.148 4.788 4.640 -0.001 0.000 0.228 543 D C 1.215 177.507 176.300 -0.015 0.000 1.148 543 D CA -0.354 53.627 54.000 -0.032 0.000 0.860 543 D CB 2.381 43.158 40.800 -0.039 0.000 1.548 543 D HN 0.279 nan 8.370 nan 0.000 0.460 544 S N 1.498 117.193 115.700 -0.008 0.000 2.351 544 S HA -0.209 4.261 4.470 -0.001 0.000 0.220 544 S C 1.777 176.385 174.600 0.013 0.000 1.035 544 S CA 2.242 60.446 58.200 0.007 0.000 1.031 544 S CB -0.584 62.620 63.200 0.007 0.000 0.928 544 S HN 0.628 nan 8.310 nan 0.000 0.433 545 T N 1.082 115.638 114.554 0.003 0.000 2.898 545 T HA 0.142 4.491 4.350 -0.001 0.000 0.241 545 T C 1.187 175.884 174.700 -0.005 0.000 1.024 545 T CA 0.456 62.556 62.100 -0.000 0.000 1.174 545 T CB -0.483 68.382 68.868 -0.005 0.000 0.873 545 T HN 0.400 nan 8.240 nan 0.000 0.422 546 K N 1.821 122.212 120.400 -0.015 0.000 2.836 546 K HA 0.369 4.689 4.320 -0.001 0.000 0.236 546 K C 1.194 177.797 176.600 0.005 0.000 1.015 546 K CA 0.146 56.424 56.287 -0.016 0.000 1.194 546 K CB -0.637 31.839 32.500 -0.041 0.000 1.002 546 K HN 0.654 nan 8.250 nan 0.000 0.479 547 G N 0.806 109.616 108.800 0.017 0.000 2.569 547 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.259 547 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.259 547 G C -0.401 174.483 174.900 -0.027 0.000 1.263 547 G CA -0.444 44.663 45.100 0.012 0.000 0.928 547 G HN 0.243 nan 8.290 nan 0.000 0.572 548 T N 1.652 116.177 114.554 -0.048 0.000 2.749 548 T HA 0.626 4.976 4.350 -0.001 0.000 0.287 548 T C 0.345 174.984 174.700 -0.101 0.000 0.970 548 T CA 0.514 62.568 62.100 -0.077 0.000 0.980 548 T CB 0.636 69.452 68.868 -0.087 0.000 0.924 548 T HN 1.456 nan 8.240 nan 0.000 0.456 549 L N 0.035 121.184 121.223 -0.123 0.000 2.765 549 L HA 0.835 5.175 4.340 -0.001 0.000 0.263 549 L C -0.102 176.644 176.870 -0.207 0.000 1.068 549 L CA -1.177 53.562 54.840 -0.168 0.000 0.903 549 L CB 1.461 43.410 42.059 -0.183 0.000 1.512 549 L HN 0.472 nan 8.230 nan 0.000 0.404 550 S N -0.249 115.272 115.700 -0.299 0.000 2.634 550 S HA 0.213 4.683 4.470 -0.001 0.000 0.254 550 S C 0.580 174.989 174.600 -0.318 0.000 1.299 550 S CA 0.578 58.572 58.200 -0.344 0.000 0.974 550 S CB 0.497 63.324 63.200 -0.621 0.000 1.001 550 S HN 0.881 nan 8.310 nan 0.000 0.584 551 N N -0.531 118.032 118.700 -0.228 0.000 2.349 551 N HA 0.097 4.836 4.740 -0.001 0.000 0.180 551 N C 1.792 177.258 175.510 -0.072 0.000 1.024 551 N CA 0.884 53.876 53.050 -0.096 0.000 0.869 551 N CB -0.171 38.329 38.487 0.022 0.000 1.022 551 N HN 0.846 nan 8.380 nan 0.000 0.433 552 W N 1.422 122.737 121.300 0.025 0.000 2.418 552 W HA -0.021 4.639 4.660 -0.001 0.000 0.292 552 W C 1.269 177.792 176.519 0.006 0.000 1.213 552 W CA 0.355 57.713 57.345 0.022 0.000 1.283 552 W CB -0.916 28.561 29.460 0.029 0.000 1.119 552 W HN 0.110 nan 8.180 nan 0.000 0.542 553 Q N 1.375 120.396 119.800 -1.298 0.000 2.173 553 Q HA -0.270 4.070 4.340 -0.001 0.000 0.208 553 Q C 2.305 178.036 176.000 -0.448 0.000 0.989 553 Q CA 2.653 57.756 55.803 -1.166 0.000 0.872 553 Q CB -0.301 27.785 28.738 -1.087 0.000 0.909 553 Q HN 0.419 nan 8.270 nan 0.000 0.420 554 K N 0.849 121.069 120.400 -0.300 0.000 1.965 554 K HA -0.260 4.060 4.320 -0.001 0.000 0.214 554 K C 2.256 178.809 176.600 -0.078 0.000 1.046 554 K CA 1.761 57.956 56.287 -0.153 0.000 0.944 554 K CB -0.175 32.261 32.500 -0.105 0.000 0.726 554 K HN 0.253 nan 8.250 nan 0.000 0.441 555 Q N 0.492 120.279 119.800 -0.022 0.000 2.047 555 Q HA -0.326 4.013 4.340 -0.001 0.000 0.211 555 Q C 2.129 178.149 176.000 0.032 0.000 1.005 555 Q CA 2.433 58.252 55.803 0.027 0.000 0.866 555 Q CB -0.702 28.084 28.738 0.079 0.000 0.938 555 Q HN 0.407 nan 8.270 nan 0.000 0.414 556 M N 0.822 120.463 119.600 0.069 0.000 2.108 556 M HA -0.160 4.320 4.480 -0.001 0.000 0.257 556 M C 1.973 178.275 176.300 0.003 0.000 1.071 556 M CA 1.676 57.024 55.300 0.080 0.000 1.093 556 M CB -0.367 32.333 32.600 0.166 0.000 1.345 556 M HN 0.409 nan 8.290 nan 0.000 0.403 557 L N -0.604 120.588 121.223 -0.051 0.000 2.291 557 L HA -0.157 4.182 4.340 -0.001 0.000 0.214 557 L C 1.305 178.159 176.870 -0.027 0.000 1.120 557 L CA 1.101 55.903 54.840 -0.064 0.000 0.799 557 L CB -0.462 41.535 42.059 -0.104 0.000 0.925 557 L HN 0.317 nan 8.230 nan 0.000 0.446 558 D N -0.638 119.753 120.400 -0.016 0.000 2.216 558 D HA -0.050 4.590 4.640 -0.001 0.000 0.208 558 D C 1.961 178.257 176.300 -0.007 0.000 0.960 558 D CA 0.529 54.523 54.000 -0.009 0.000 0.861 558 D CB 0.039 40.834 40.800 -0.007 0.000 0.985 558 D HN 0.154 nan 8.370 nan 0.000 0.493 559 R N 0.645 121.146 120.500 0.001 0.000 2.328 559 R HA 0.070 4.410 4.340 -0.001 0.000 0.207 559 R C 2.027 178.356 176.300 0.047 0.000 1.056 559 R CA 0.073 56.173 56.100 -0.000 0.000 1.016 559 R CB -0.182 30.130 30.300 0.020 0.000 0.872 559 R HN 0.314 nan 8.270 nan 0.000 0.471 560 L N 0.023 121.295 121.223 0.082 0.000 2.249 560 L HA -0.027 4.313 4.340 -0.001 0.000 0.207 560 L C 1.603 178.640 176.870 0.278 0.000 1.090 560 L CA 0.702 55.677 54.840 0.224 0.000 0.802 560 L CB -0.271 41.847 42.059 0.098 0.000 0.947 560 L HN 0.126 nan 8.230 nan 0.000 0.453 561 N N 0.829 119.601 118.700 0.119 0.000 2.132 561 N HA -0.184 4.556 4.740 -0.001 0.000 0.187 561 N C 1.619 177.128 175.510 -0.001 0.000 1.038 561 N CA 1.330 54.421 53.050 0.070 0.000 0.846 561 N CB -0.236 38.280 38.487 0.048 0.000 1.012 561 N HN 0.395 nan 8.380 nan 0.000 0.429 562 E N 1.007 121.156 120.200 -0.084 0.000 2.393 562 E HA -0.111 4.238 4.350 -0.001 0.000 0.201 562 E C 1.462 177.788 176.600 -0.457 0.000 1.025 562 E CA 1.121 57.327 56.400 -0.323 0.000 0.856 562 E CB 0.044 29.502 29.700 -0.404 0.000 0.771 562 E HN 0.310 nan 8.360 nan 0.000 0.526 563 A N 1.103 123.826 122.820 -0.162 0.000 1.871 563 A HA 0.020 4.340 4.320 -0.001 0.000 0.211 563 A C 2.274 179.839 177.584 -0.031 0.000 1.207 563 A CA 0.840 52.829 52.037 -0.080 0.000 0.620 563 A CB -0.470 18.569 19.000 0.065 0.000 0.860 563 A HN 0.392 nan 8.150 nan 0.000 0.450 564 V N -2.220 117.668 119.914 -0.043 0.000 3.623 564 V HA 0.207 4.327 4.120 -0.001 0.000 0.274 564 V C 1.319 177.461 176.094 0.080 0.000 1.244 564 V CA 1.860 64.111 62.300 -0.082 0.000 1.182 564 V CB -0.754 30.828 31.823 -0.402 0.000 0.925 564 V HN 0.503 nan 8.190 nan 0.000 0.462 565 K N -0.805 119.681 120.400 0.143 0.000 2.435 565 K HA 0.296 4.615 4.320 -0.001 0.000 0.199 565 K C 1.175 177.987 176.600 0.353 0.000 1.153 565 K CA -0.102 56.341 56.287 0.260 0.000 0.974 565 K CB 0.269 32.919 32.500 0.250 0.000 0.997 565 K HN 0.557 nan 8.250 nan 0.000 0.547 566 Y N 0.080 120.421 120.300 0.069 0.000 2.496 566 Y HA 0.009 4.559 4.550 -0.001 0.000 0.313 566 Y C 1.596 177.526 175.900 0.049 0.000 1.184 566 Y CA -0.211 57.920 58.100 0.051 0.000 1.275 566 Y CB 0.737 39.224 38.460 0.046 0.000 1.103 566 Y HN 0.129 nan 8.280 nan 0.000 0.513 567 T N -1.777 112.903 114.554 0.210 0.000 3.311 567 T HA 0.314 4.663 4.350 -0.001 0.000 0.239 567 T C 1.347 176.117 174.700 0.117 0.000 0.976 567 T CA 0.875 63.058 62.100 0.138 0.000 1.283 567 T CB 0.429 69.372 68.868 0.124 0.000 1.113 567 T HN 0.280 nan 8.240 nan 0.000 0.392 568 G N 0.201 109.094 108.800 0.155 0.000 4.882 568 G HA2 0.196 4.156 3.960 -0.001 0.000 0.210 568 G HA3 0.196 4.156 3.960 -0.001 0.000 0.210 568 G C -0.842 174.175 174.900 0.195 0.000 0.811 568 G CA -0.357 44.820 45.100 0.129 0.000 0.832 568 G HN 0.451 nan 8.290 nan 0.000 0.467 569 Y N 2.083 122.442 120.300 0.098 0.000 2.310 569 Y HA 0.561 5.110 4.550 -0.001 0.000 0.326 569 Y C 0.866 176.793 175.900 0.044 0.000 1.151 569 Y CA 0.004 58.157 58.100 0.089 0.000 1.195 569 Y CB 2.182 40.697 38.460 0.092 0.000 1.210 569 Y HN 0.104 nan 8.280 nan 0.000 0.483 570 T N 0.907 115.102 114.554 -0.597 0.000 3.633 570 T HA 0.342 4.692 4.350 -0.001 0.000 0.278 570 T C 0.269 174.563 174.700 -0.676 0.000 0.991 570 T CA 0.051 61.865 62.100 -0.477 0.000 1.036 570 T CB -0.657 68.073 68.868 -0.230 0.000 1.148 570 T HN 0.798 nan 8.240 nan 0.000 0.501 571 G N -0.535 107.468 108.800 -1.329 0.000 4.250 571 G HA2 0.574 4.533 3.960 -0.001 0.000 0.295 571 G HA3 0.574 4.533 3.960 -0.001 0.000 0.295 571 G C 0.891 175.617 174.900 -0.288 0.000 1.081 571 G CA -0.062 44.577 45.100 -0.769 0.000 0.854 571 G HN 1.105 nan 8.290 nan 0.000 0.524 572 G N 0.989 109.667 108.800 -0.204 0.000 2.652 572 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.278 572 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.278 572 G C -0.358 174.645 174.900 0.172 0.000 1.263 572 G CA 0.301 45.407 45.100 0.010 0.000 0.966 572 G HN 0.616 nan 8.290 nan 0.000 0.544 573 D N -0.781 119.716 120.400 0.161 0.000 2.350 573 D HA 0.638 5.278 4.640 -0.001 0.000 0.238 573 D C 0.520 176.857 176.300 0.060 0.000 0.989 573 D CA -0.006 54.063 54.000 0.115 0.000 0.921 573 D CB 2.465 43.284 40.800 0.031 0.000 1.297 573 D HN 0.741 nan 8.370 nan 0.000 0.490 574 V N 0.411 120.278 119.914 -0.079 0.000 3.604 574 V HA 0.210 4.330 4.120 -0.001 0.000 0.277 574 V C -0.721 175.270 176.094 -0.171 0.000 1.399 574 V CA 0.323 62.463 62.300 -0.268 0.000 1.034 574 V CB 0.620 32.083 31.823 -0.600 0.000 0.824 574 V HN 0.357 nan 8.190 nan 0.000 0.439 575 V N 2.080 121.967 119.914 -0.046 0.000 2.326 575 V HA 0.382 4.502 4.120 -0.001 0.000 0.281 575 V C 0.503 176.502 176.094 -0.159 0.000 1.015 575 V CA -0.098 62.171 62.300 -0.053 0.000 0.823 575 V CB 1.026 32.865 31.823 0.027 0.000 1.009 575 V HN 0.512 nan 8.190 nan 0.000 0.436 576 N N 2.636 121.140 118.700 -0.328 0.000 2.322 576 N HA 0.068 4.807 4.740 -0.001 0.000 0.186 576 N C 0.430 175.771 175.510 -0.282 0.000 1.037 576 N CA 0.351 53.212 53.050 -0.314 0.000 0.869 576 N CB 0.140 38.424 38.487 -0.338 0.000 1.036 576 N HN 0.839 nan 8.380 nan 0.000 0.439 577 H N -0.398 118.645 119.070 -0.044 0.000 3.047 577 H HA 0.646 5.202 4.556 -0.001 0.000 0.253 577 H C 0.599 175.876 175.328 -0.084 0.000 1.587 577 H CA -0.932 55.081 56.048 -0.059 0.000 1.652 577 H CB -0.447 29.286 29.762 -0.048 0.000 1.618 577 H HN 0.036 nan 8.280 nan 0.000 0.956 578 G N -1.105 107.786 108.800 0.151 0.000 2.557 578 G HA2 0.377 4.337 3.960 -0.001 0.000 0.292 578 G HA3 0.377 4.337 3.960 -0.001 0.000 0.292 578 G C -0.434 174.462 174.900 -0.006 0.000 1.237 578 G CA -0.413 44.688 45.100 0.002 0.000 0.978 578 G HN 0.921 nan 8.290 nan 0.000 0.498 579 T N -1.382 113.112 114.554 -0.099 0.000 2.771 579 T HA 0.162 4.511 4.350 -0.001 0.000 0.277 579 T C 1.219 175.806 174.700 -0.189 0.000 0.919 579 T CA 0.382 62.395 62.100 -0.145 0.000 1.163 579 T CB 1.021 69.770 68.868 -0.199 0.000 0.876 579 T HN 0.727 nan 8.240 nan 0.000 0.545 580 E N 2.357 122.442 120.200 -0.191 0.000 2.502 580 E HA -0.344 4.005 4.350 -0.001 0.000 0.224 580 E C 1.466 177.867 176.600 -0.333 0.000 1.126 580 E CA 1.594 57.849 56.400 -0.242 0.000 0.883 580 E CB -0.449 29.130 29.700 -0.202 0.000 0.775 580 E HN 0.680 nan 8.360 nan 0.000 0.509 581 Q N -0.207 119.364 119.800 -0.381 0.000 2.431 581 Q HA 0.002 4.341 4.340 -0.001 0.000 0.210 581 Q C 0.300 176.160 176.000 -0.232 0.000 0.958 581 Q CA 0.764 56.335 55.803 -0.387 0.000 0.957 581 Q CB 0.348 28.834 28.738 -0.420 0.000 1.007 581 Q HN 0.509 nan 8.270 nan 0.000 0.511 582 D N -0.858 119.419 120.400 -0.204 0.000 2.520 582 D HA -0.019 4.620 4.640 -0.001 0.000 0.223 582 D C 0.049 176.244 176.300 -0.175 0.000 1.186 582 D CA -0.056 53.841 54.000 -0.171 0.000 0.821 582 D CB 0.387 41.111 40.800 -0.126 0.000 1.072 582 D HN 0.102 nan 8.370 nan 0.000 0.518 583 N N 1.978 120.563 118.700 -0.191 0.000 3.210 583 N HA -0.025 4.715 4.740 -0.001 0.000 0.314 583 N C 0.992 176.412 175.510 -0.151 0.000 1.291 583 N CA 0.244 53.210 53.050 -0.139 0.000 1.202 583 N CB 0.005 38.416 38.487 -0.127 0.000 1.475 583 N HN 0.093 nan 8.380 nan 0.000 0.554 584 E N -0.140 119.958 120.200 -0.170 0.000 2.077 584 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 584 E C 1.134 177.634 176.600 -0.166 0.000 0.989 584 E CA 0.881 57.168 56.400 -0.187 0.000 0.800 584 E CB 0.131 29.726 29.700 -0.174 0.000 0.746 584 E HN 0.500 nan 8.360 nan 0.000 0.452 585 E N 0.283 120.409 120.200 -0.124 0.000 2.002 585 E HA -0.166 4.184 4.350 -0.001 0.000 0.213 585 E C 0.671 177.049 176.600 -0.371 0.000 1.024 585 E CA 1.290 57.581 56.400 -0.182 0.000 0.876 585 E CB -0.280 29.476 29.700 0.093 0.000 0.799 585 E HN 0.186 nan 8.360 nan 0.000 0.497 586 F N 1.542 121.436 119.950 -0.093 0.000 2.701 586 F HA 0.254 4.780 4.527 -0.001 0.000 0.315 586 F C -2.017 173.738 175.800 -0.074 0.000 1.277 586 F CA -2.416 55.540 58.000 -0.075 0.000 1.180 586 F CB 0.426 39.382 39.000 -0.073 0.000 1.273 586 F HN -0.093 nan 8.300 nan 0.000 0.532 587 P HA 0.032 nan 4.420 nan 0.000 0.266 587 P C -0.402 176.920 177.300 0.038 0.000 1.195 587 P CA 0.368 63.463 63.100 -0.007 0.000 0.768 587 P CB 1.372 33.031 31.700 -0.068 0.000 0.838 588 E N 0.968 121.200 120.200 0.054 0.000 2.367 588 E HA 0.330 4.680 4.350 -0.001 0.000 0.273 588 E C -0.655 175.969 176.600 0.039 0.000 0.903 588 E CA -1.057 55.370 56.400 0.045 0.000 0.764 588 E CB 2.485 32.228 29.700 0.070 0.000 1.252 588 E HN 0.363 nan 8.360 nan 0.000 0.446 589 K N 2.210 122.560 120.400 -0.083 0.000 2.293 589 K HA 0.303 4.622 4.320 -0.001 0.000 0.267 589 K C -1.519 175.135 176.600 0.090 0.000 1.010 589 K CA -0.379 55.764 56.287 -0.242 0.000 0.875 589 K CB 0.698 32.789 32.500 -0.681 0.000 1.106 589 K HN 0.366 nan 8.250 nan 0.000 0.450 590 D N 3.637 124.273 120.400 0.394 0.000 2.425 590 D HA 0.186 4.826 4.640 -0.001 0.000 0.240 590 D C 0.534 177.069 176.300 0.392 0.000 1.080 590 D CA -0.689 53.516 54.000 0.342 0.000 0.836 590 D CB 1.522 42.521 40.800 0.331 0.000 1.125 590 D HN 0.483 nan 8.370 nan 0.000 0.525 591 N N 1.841 120.703 118.700 0.270 0.000 2.011 591 N HA -0.172 4.568 4.740 -0.001 0.000 0.199 591 N C 0.072 175.679 175.510 0.161 0.000 1.047 591 N CA 1.207 54.395 53.050 0.229 0.000 0.863 591 N CB -0.069 38.507 38.487 0.147 0.000 1.056 591 N HN 0.577 nan 8.380 nan 0.000 0.427 592 E N 0.352 120.627 120.200 0.126 0.000 2.331 592 E HA 0.338 4.687 4.350 -0.001 0.000 0.272 592 E C -0.319 176.322 176.600 0.069 0.000 1.036 592 E CA -0.062 56.385 56.400 0.077 0.000 0.864 592 E CB 1.212 30.960 29.700 0.079 0.000 1.035 592 E HN 0.115 nan 8.360 nan 0.000 0.408 593 I N 3.191 123.762 120.570 0.000 0.000 2.586 593 I HA 0.164 4.334 4.170 -0.001 0.000 0.288 593 I C -0.993 175.128 176.117 0.008 0.000 1.147 593 I CA -0.631 60.647 61.300 -0.036 0.000 1.047 593 I CB 1.023 38.860 38.000 -0.271 0.000 1.244 593 I HN 0.504 nan 8.210 nan 0.000 0.429 594 F N 7.649 127.574 119.950 -0.042 0.000 2.427 594 F HA 0.563 5.090 4.527 -0.001 0.000 0.352 594 F C -0.209 175.582 175.800 -0.015 0.000 1.100 594 F CA -0.093 57.869 58.000 -0.064 0.000 1.191 594 F CB 0.651 39.591 39.000 -0.099 0.000 1.128 594 F HN 0.257 nan 8.300 nan 0.000 0.533 595 I N 8.153 128.338 120.570 -0.641 0.000 2.497 595 I HA 0.256 4.426 4.170 -0.001 0.000 0.284 595 I C -0.813 174.977 176.117 -0.545 0.000 1.060 595 I CA -0.497 60.580 61.300 -0.372 0.000 1.071 595 I CB 1.799 39.687 38.000 -0.188 0.000 1.216 595 I HN 0.439 nan 8.210 nan 0.000 0.442 596 I N 6.000 126.356 120.570 -0.357 0.000 2.256 596 I HA 0.069 4.238 4.170 -0.001 0.000 0.294 596 I C 0.751 176.739 176.117 -0.215 0.000 1.127 596 I CA -0.322 60.783 61.300 -0.325 0.000 1.247 596 I CB -0.151 37.747 38.000 -0.171 0.000 1.460 596 I HN 0.669 nan 8.210 nan 0.000 0.511 597 N N 8.715 127.254 118.700 -0.268 0.000 2.178 597 N HA -0.092 4.647 4.740 -0.001 0.000 0.220 597 N C -1.613 173.652 175.510 -0.410 0.000 1.292 597 N CA -0.480 52.260 53.050 -0.516 0.000 0.871 597 N CB 0.170 38.501 38.487 -0.260 0.000 1.085 597 N HN 0.291 nan 8.380 nan 0.000 0.438 598 P HA -0.045 nan 4.420 nan 0.000 0.247 598 P C -0.810 176.470 177.300 -0.033 0.000 1.225 598 P CA 1.211 64.238 63.100 -0.122 0.000 0.768 598 P CB -0.019 31.748 31.700 0.112 0.000 1.020 599 E N -1.134 119.038 120.200 -0.047 0.000 3.586 599 E HA 0.312 4.662 4.350 -0.001 0.000 0.175 599 E C 0.848 177.468 176.600 0.034 0.000 0.980 599 E CA 0.047 56.451 56.400 0.007 0.000 1.391 599 E CB 0.373 30.081 29.700 0.012 0.000 1.101 599 E HN 0.095 nan 8.360 nan 0.000 0.440 600 G N 1.731 110.569 108.800 0.063 0.000 2.812 600 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.219 600 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.219 600 G C 0.160 175.207 174.900 0.245 0.000 1.275 600 G CA -0.060 45.139 45.100 0.163 0.000 0.769 600 G HN 0.370 nan 8.290 nan 0.000 0.527 601 E N 1.489 121.760 120.200 0.119 0.000 3.288 601 E HA 0.054 4.403 4.350 -0.001 0.000 0.237 601 E C -0.039 176.672 176.600 0.185 0.000 0.958 601 E CA 0.343 56.811 56.400 0.113 0.000 0.947 601 E CB -0.309 29.418 29.700 0.044 0.000 0.896 601 E HN 0.462 nan 8.360 nan 0.000 0.566 602 F N 3.168 123.038 119.950 -0.133 0.000 2.429 602 F HA 0.356 4.883 4.527 -0.001 0.000 0.348 602 F C 0.961 176.580 175.800 -0.303 0.000 1.109 602 F CA -0.513 57.324 58.000 -0.271 0.000 1.232 602 F CB 0.642 39.599 39.000 -0.073 0.000 1.157 602 F HN 0.247 nan 8.300 nan 0.000 0.564 603 I N 3.386 123.724 120.570 -0.387 0.000 2.841 603 I HA 0.305 4.475 4.170 -0.001 0.000 0.298 603 I C -1.596 174.298 176.117 -0.372 0.000 1.304 603 I CA -0.842 60.267 61.300 -0.318 0.000 1.019 603 I CB 2.679 40.453 38.000 -0.378 0.000 1.282 603 I HN 0.335 nan 8.210 nan 0.000 0.432 604 L N 5.017 126.116 121.223 -0.207 0.000 2.457 604 L HA 0.470 4.810 4.340 -0.001 0.000 0.266 604 L C 0.368 177.151 176.870 -0.146 0.000 0.979 604 L CA 0.070 54.844 54.840 -0.111 0.000 0.857 604 L CB 1.561 43.654 42.059 0.058 0.000 1.213 604 L HN 0.826 nan 8.230 nan 0.000 0.418 605 T N 1.177 115.603 114.554 -0.214 0.000 2.589 605 T HA 0.208 4.558 4.350 -0.001 0.000 0.342 605 T C 0.710 175.366 174.700 -0.075 0.000 1.044 605 T CA 0.587 62.579 62.100 -0.181 0.000 1.020 605 T CB 0.631 69.373 68.868 -0.211 0.000 1.070 605 T HN 0.779 nan 8.240 nan 0.000 0.524 606 K N -0.749 119.623 120.400 -0.046 0.000 2.585 606 K HA 0.264 4.584 4.320 -0.001 0.000 0.210 606 K C 0.233 176.852 176.600 0.032 0.000 1.504 606 K CA -0.399 55.889 56.287 0.001 0.000 1.029 606 K CB 0.570 33.070 32.500 0.001 0.000 1.332 606 K HN 0.415 nan 8.250 nan 0.000 0.569 607 N N -0.131 118.580 118.700 0.019 0.000 2.335 607 N HA 0.076 4.815 4.740 -0.001 0.000 0.304 607 N C -0.652 174.903 175.510 0.074 0.000 1.135 607 N CA -0.456 52.632 53.050 0.064 0.000 0.817 607 N CB 1.255 39.763 38.487 0.034 0.000 1.294 607 N HN 0.143 nan 8.380 nan 0.000 0.497 608 W N 1.577 122.886 121.300 0.015 0.000 2.721 608 W HA -0.084 4.576 4.660 -0.001 0.000 0.245 608 W C -0.033 176.486 176.519 0.000 0.000 1.276 608 W CA 0.975 58.346 57.345 0.043 0.000 1.342 608 W CB 0.486 29.980 29.460 0.057 0.000 1.135 608 W HN 0.627 nan 8.180 nan 0.000 0.654 609 E N -0.101 120.037 120.200 -0.103 0.000 2.083 609 E HA -0.103 4.246 4.350 -0.001 0.000 0.193 609 E C 2.181 178.649 176.600 -0.220 0.000 0.950 609 E CA 0.994 57.274 56.400 -0.200 0.000 0.849 609 E CB -1.217 28.434 29.700 -0.081 0.000 0.827 609 E HN 0.020 nan 8.360 nan 0.000 0.465 610 M N 0.926 120.452 119.600 -0.122 0.000 2.128 610 M HA -0.299 4.181 4.480 -0.001 0.000 0.253 610 M C 1.570 177.803 176.300 -0.111 0.000 1.079 610 M CA 1.993 57.238 55.300 -0.092 0.000 1.082 610 M CB -0.333 32.229 32.600 -0.064 0.000 1.335 610 M HN 0.174 nan 8.290 nan 0.000 0.401 611 T N -0.321 114.121 114.554 -0.187 0.000 2.614 611 T HA -0.113 4.237 4.350 -0.001 0.000 0.263 611 T C 1.619 176.173 174.700 -0.242 0.000 1.055 611 T CA 1.662 63.629 62.100 -0.222 0.000 1.162 611 T CB -1.145 67.510 68.868 -0.355 0.000 0.863 611 T HN 0.683 nan 8.240 nan 0.000 0.414 612 G N 0.812 109.323 108.800 -0.482 0.000 2.462 612 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.220 612 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.220 612 G C 1.743 176.311 174.900 -0.554 0.000 1.121 612 G CA 0.575 45.211 45.100 -0.774 0.000 0.758 612 G HN 0.398 nan 8.290 nan 0.000 0.559 613 R N -1.239 119.060 120.500 -0.336 0.000 2.080 613 R HA 0.159 4.499 4.340 -0.001 0.000 0.222 613 R C 2.198 178.395 176.300 -0.172 0.000 1.107 613 R CA 0.613 56.567 56.100 -0.244 0.000 0.980 613 R CB -0.422 29.780 30.300 -0.163 0.000 0.879 613 R HN 0.362 nan 8.270 nan 0.000 0.439 614 F N 1.565 121.375 119.950 -0.233 0.000 2.126 614 F HA -0.175 4.352 4.527 -0.001 0.000 0.299 614 F C 1.713 177.381 175.800 -0.219 0.000 1.096 614 F CA 1.518 59.408 58.000 -0.184 0.000 1.255 614 F CB -0.027 38.886 39.000 -0.145 0.000 0.997 614 F HN -0.078 nan 8.300 nan 0.000 0.479 615 I N -0.184 120.283 120.570 -0.171 0.000 2.439 615 I HA -0.199 3.971 4.170 -0.001 0.000 0.251 615 I C 2.135 178.007 176.117 -0.408 0.000 1.139 615 I CA 1.204 62.315 61.300 -0.316 0.000 1.438 615 I CB -0.660 37.187 38.000 -0.255 0.000 1.085 615 I HN 0.185 nan 8.210 nan 0.000 0.427 616 E N 1.210 121.188 120.200 -0.371 0.000 2.072 616 E HA -0.220 4.130 4.350 -0.001 0.000 0.190 616 E C 2.082 178.500 176.600 -0.304 0.000 0.982 616 E CA 0.948 57.152 56.400 -0.325 0.000 0.803 616 E CB 0.055 29.568 29.700 -0.312 0.000 0.755 616 E HN 0.382 nan 8.360 nan 0.000 0.453 617 K N 1.372 121.572 120.400 -0.332 0.000 1.964 617 K HA -0.142 4.177 4.320 -0.001 0.000 0.218 617 K C 1.060 177.433 176.600 -0.378 0.000 1.043 617 K CA 1.876 57.972 56.287 -0.318 0.000 0.966 617 K CB -0.086 32.231 32.500 -0.305 0.000 0.739 617 K HN 0.061 nan 8.250 nan 0.000 0.443 618 N N 0.085 118.458 118.700 -0.546 0.000 2.378 618 N HA 0.164 4.904 4.740 -0.001 0.000 0.243 618 N C 0.638 175.713 175.510 -0.725 0.000 1.137 618 N CA 0.066 52.780 53.050 -0.561 0.000 0.862 618 N CB 0.561 38.736 38.487 -0.520 0.000 1.116 618 N HN 0.298 nan 8.380 nan 0.000 0.499 619 I N -1.608 118.580 120.570 -0.637 0.000 3.489 619 I HA 0.027 4.197 4.170 -0.001 0.000 0.273 619 I C 1.325 177.251 176.117 -0.319 0.000 0.979 619 I CA 0.025 60.967 61.300 -0.598 0.000 2.160 619 I CB -0.296 37.376 38.000 -0.548 0.000 1.637 619 I HN -0.012 nan 8.210 nan 0.000 0.449 620 T N 1.099 115.491 114.554 -0.270 0.000 2.486 620 T HA -0.200 4.150 4.350 -0.001 0.000 0.257 620 T C 1.285 175.913 174.700 -0.120 0.000 1.175 620 T CA 2.018 64.032 62.100 -0.143 0.000 1.207 620 T CB -0.842 67.932 68.868 -0.156 0.000 0.864 620 T HN 0.555 nan 8.240 nan 0.000 0.405 621 G N 0.710 109.418 108.800 -0.154 0.000 3.337 621 G HA2 0.097 4.057 3.960 -0.001 0.000 0.226 621 G HA3 0.097 4.057 3.960 -0.001 0.000 0.226 621 G C 0.737 175.549 174.900 -0.147 0.000 1.295 621 G CA 0.152 45.178 45.100 -0.124 0.000 1.427 621 G HN 0.290 nan 8.290 nan 0.000 0.535 622 K N 0.406 120.702 120.400 -0.174 0.000 2.609 622 K HA 0.179 4.499 4.320 -0.001 0.000 0.195 622 K C 0.423 176.931 176.600 -0.155 0.000 1.144 622 K CA -0.206 55.952 56.287 -0.216 0.000 1.084 622 K CB 0.337 32.617 32.500 -0.367 0.000 0.877 622 K HN 0.053 nan 8.250 nan 0.000 0.540 623 D N -0.709 119.685 120.400 -0.008 0.000 2.954 623 D HA -0.205 4.434 4.640 -0.001 0.000 0.200 623 D C -0.726 175.804 176.300 0.383 0.000 1.022 623 D CA 0.806 54.894 54.000 0.146 0.000 1.003 623 D CB -1.188 39.702 40.800 0.150 0.000 1.073 623 D HN 0.159 nan 8.370 nan 0.000 0.438 624 Y N 0.335 120.614 120.300 -0.035 0.000 2.361 624 Y HA 0.523 5.072 4.550 -0.001 0.000 0.332 624 Y C 0.581 176.492 175.900 0.018 0.000 1.101 624 Y CA -1.493 56.595 58.100 -0.021 0.000 1.137 624 Y CB 0.959 39.388 38.460 -0.051 0.000 1.207 624 Y HN -0.053 nan 8.280 nan 0.000 0.463 625 L N 5.611 126.918 121.223 0.140 0.000 2.283 625 L HA 0.363 4.703 4.340 -0.001 0.000 0.287 625 L C -1.550 175.465 176.870 0.242 0.000 1.073 625 L CA -0.591 54.342 54.840 0.156 0.000 0.822 625 L CB -0.433 41.667 42.059 0.068 0.000 1.186 625 L HN 0.571 nan 8.230 nan 0.000 0.436 626 Y N 5.827 126.206 120.300 0.131 0.000 2.477 626 Y HA 0.632 5.182 4.550 -0.001 0.000 0.347 626 Y C -1.481 174.536 175.900 0.196 0.000 0.981 626 Y CA -1.187 56.971 58.100 0.098 0.000 1.033 626 Y CB 1.564 40.080 38.460 0.092 0.000 1.245 626 Y HN 0.660 nan 8.280 nan 0.000 0.455 627 Y N 4.638 125.082 120.300 0.240 0.000 2.425 627 Y HA 0.660 5.210 4.550 -0.001 0.000 0.344 627 Y C -1.657 174.313 175.900 0.116 0.000 0.969 627 Y CA -2.392 55.840 58.100 0.220 0.000 1.052 627 Y CB 0.585 39.055 38.460 0.016 0.000 1.215 627 Y HN 0.536 nan 8.280 nan 0.000 0.451 628 F N 0.798 120.951 119.950 0.338 0.000 2.432 628 F HA 0.496 5.022 4.527 -0.001 0.000 0.329 628 F C 0.236 175.988 175.800 -0.079 0.000 1.076 628 F CA -1.391 56.648 58.000 0.065 0.000 1.018 628 F CB 1.112 40.026 39.000 -0.143 0.000 1.201 628 F HN 0.805 nan 8.300 nan 0.000 0.489 629 N N 3.280 121.784 118.700 -0.328 0.000 2.142 629 N HA -0.139 4.601 4.740 -0.001 0.000 0.282 629 N C 1.050 176.217 175.510 -0.573 0.000 1.342 629 N CA -0.363 52.246 53.050 -0.735 0.000 0.831 629 N CB 0.555 38.053 38.487 -1.648 0.000 1.083 629 N HN 0.625 nan 8.380 nan 0.000 0.492 630 R N 2.172 122.422 120.500 -0.416 0.000 2.113 630 R HA -0.142 4.197 4.340 -0.001 0.000 0.244 630 R C 1.526 177.700 176.300 -0.210 0.000 1.142 630 R CA 1.371 57.288 56.100 -0.305 0.000 0.953 630 R CB -1.059 29.092 30.300 -0.248 0.000 0.860 630 R HN 0.529 nan 8.270 nan 0.000 0.438 631 S N 0.216 115.767 115.700 -0.248 0.000 2.595 631 S HA 0.001 4.471 4.470 -0.001 0.000 0.235 631 S C 0.228 174.827 174.600 -0.002 0.000 0.974 631 S CA 0.061 58.178 58.200 -0.138 0.000 0.942 631 S CB -0.285 62.817 63.200 -0.163 0.000 0.766 631 S HN 0.279 nan 8.310 nan 0.000 0.536 632 Y N 2.198 122.516 120.300 0.029 0.000 2.425 632 Y HA 0.062 4.612 4.550 -0.001 0.000 0.331 632 Y C 1.219 177.185 175.900 0.111 0.000 1.157 632 Y CA -0.747 57.414 58.100 0.101 0.000 1.372 632 Y CB 0.372 39.005 38.460 0.289 0.000 1.253 632 Y HN 0.153 nan 8.280 nan 0.000 0.536 633 N N -0.137 118.641 118.700 0.130 0.000 2.921 633 N HA -0.205 4.535 4.740 -0.001 0.000 0.205 633 N C -0.583 175.045 175.510 0.196 0.000 0.945 633 N CA 1.311 54.397 53.050 0.060 0.000 1.048 633 N CB -0.740 37.885 38.487 0.230 0.000 0.981 633 N HN 0.560 nan 8.380 nan 0.000 0.590 634 K N 0.489 120.987 120.400 0.164 0.000 2.416 634 K HA 0.641 4.960 4.320 -0.001 0.000 0.244 634 K C 0.109 176.825 176.600 0.192 0.000 1.044 634 K CA -0.814 55.577 56.287 0.172 0.000 0.972 634 K CB 0.944 33.492 32.500 0.080 0.000 1.286 634 K HN -0.067 nan 8.250 nan 0.000 0.500 635 I N 0.929 121.580 120.570 0.134 0.000 2.315 635 I HA 0.220 4.390 4.170 -0.001 0.000 0.291 635 I C 0.013 176.137 176.117 0.011 0.000 1.006 635 I CA -0.506 60.858 61.300 0.106 0.000 1.265 635 I CB 1.060 39.093 38.000 0.054 0.000 1.387 635 I HN 0.469 nan 8.210 nan 0.000 0.475 636 A N 8.028 130.840 122.820 -0.012 0.000 2.444 636 A HA 0.455 4.774 4.320 -0.001 0.000 0.273 636 A C -1.623 175.867 177.584 -0.158 0.000 1.136 636 A CA -0.915 51.063 52.037 -0.099 0.000 0.799 636 A CB -0.248 18.689 19.000 -0.105 0.000 1.081 636 A HN 0.613 nan 8.150 nan 0.000 0.509 637 P HA -0.183 nan 4.420 nan 0.000 0.208 637 P C 1.930 179.019 177.300 -0.353 0.000 1.189 637 P CA 2.051 65.019 63.100 -0.220 0.000 0.931 637 P CB -0.005 31.573 31.700 -0.204 0.000 0.783 638 G N 0.022 108.428 108.800 -0.657 0.000 2.759 638 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.224 638 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.224 638 G C 0.962 175.406 174.900 -0.759 0.000 1.173 638 G CA 1.988 46.266 45.100 -1.370 0.000 0.770 638 G HN 0.579 nan 8.290 nan 0.000 0.626 639 N N -1.524 116.908 118.700 -0.447 0.000 2.177 639 N HA 0.268 5.008 4.740 -0.001 0.000 0.218 639 N C 0.138 175.614 175.510 -0.058 0.000 1.182 639 N CA -0.084 52.916 53.050 -0.084 0.000 0.882 639 N CB 0.376 38.904 38.487 0.069 0.000 1.052 639 N HN 0.166 nan 8.380 nan 0.000 0.519 640 K N 0.563 120.904 120.400 -0.098 0.000 3.490 640 K HA -0.215 4.105 4.320 -0.001 0.000 0.273 640 K C -1.033 175.565 176.600 -0.002 0.000 0.916 640 K CA 0.367 56.626 56.287 -0.047 0.000 0.718 640 K CB -1.189 31.290 32.500 -0.036 0.000 1.477 640 K HN 0.566 nan 8.250 nan 0.000 0.452 641 A N 1.393 124.216 122.820 0.004 0.000 2.331 641 A HA 0.512 4.832 4.320 -0.001 0.000 0.320 641 A C -1.334 176.307 177.584 0.096 0.000 1.138 641 A CA -0.576 51.485 52.037 0.040 0.000 0.790 641 A CB 0.701 19.707 19.000 0.010 0.000 1.206 641 A HN 0.334 nan 8.150 nan 0.000 0.470 642 Y N 3.357 123.645 120.300 -0.020 0.000 2.454 642 Y HA 0.561 5.111 4.550 -0.000 0.000 0.345 642 Y C -0.565 175.324 175.900 -0.017 0.000 0.970 642 Y CA -0.857 57.243 58.100 -0.001 0.000 1.204 642 Y CB 0.467 38.924 38.460 -0.005 0.000 1.122 642 Y HN 0.502 nan 8.280 nan 0.000 0.514 643 I N 6.006 126.373 120.570 -0.339 0.000 2.354 643 I HA 0.203 4.373 4.170 -0.001 0.000 0.286 643 I C -0.256 175.639 176.117 -0.370 0.000 1.007 643 I CA -0.718 60.377 61.300 -0.342 0.000 1.167 643 I CB 1.386 39.293 38.000 -0.155 0.000 1.320 643 I HN 0.530 nan 8.210 nan 0.000 0.458 644 E N 6.562 126.560 120.200 -0.337 0.000 2.316 644 E HA 0.092 4.441 4.350 -0.001 0.000 0.275 644 E C -1.344 175.396 176.600 0.232 0.000 1.029 644 E CA -0.129 56.210 56.400 -0.101 0.000 0.871 644 E CB 1.091 30.775 29.700 -0.026 0.000 1.022 644 E HN 0.503 nan 8.360 nan 0.000 0.418 645 W N 6.063 127.320 121.300 -0.072 0.000 2.822 645 W HA 0.068 4.727 4.660 -0.001 0.000 0.317 645 W C -0.964 175.406 176.519 -0.248 0.000 1.033 645 W CA -0.714 56.540 57.345 -0.152 0.000 1.252 645 W CB 0.794 30.099 29.460 -0.259 0.000 1.186 645 W HN 0.574 nan 8.180 nan 0.000 0.383 646 T N 1.621 115.927 114.554 -0.413 0.000 2.447 646 T HA -0.178 4.172 4.350 -0.001 0.000 0.224 646 T C -0.324 174.194 174.700 -0.303 0.000 1.058 646 T CA 0.802 62.693 62.100 -0.348 0.000 1.224 646 T CB 0.502 69.112 68.868 -0.430 0.000 1.029 646 T HN 0.347 nan 8.240 nan 0.000 0.475 647 D N 3.755 124.118 120.400 -0.061 0.000 2.425 647 D HA 0.368 5.008 4.640 -0.001 0.000 0.240 647 D C -1.768 174.584 176.300 0.087 0.000 1.080 647 D CA -2.715 51.337 54.000 0.086 0.000 0.836 647 D CB 2.071 43.061 40.800 0.316 0.000 1.125 647 D HN 0.128 nan 8.370 nan 0.000 0.525 648 P HA -0.096 nan 4.420 nan 0.000 0.214 648 P C 1.746 179.101 177.300 0.091 0.000 1.163 648 P CA 1.015 64.154 63.100 0.066 0.000 0.889 648 P CB 0.261 32.004 31.700 0.071 0.000 0.790 649 I N -1.327 119.320 120.570 0.128 0.000 2.185 649 I HA -0.306 3.864 4.170 -0.001 0.000 0.246 649 I C 2.048 178.227 176.117 0.103 0.000 1.088 649 I CA 1.877 63.244 61.300 0.113 0.000 1.347 649 I CB -1.288 36.789 38.000 0.129 0.000 1.041 649 I HN 0.042 nan 8.210 nan 0.000 0.415 650 T N 0.063 114.690 114.554 0.122 0.000 2.951 650 T HA -0.137 4.213 4.350 -0.001 0.000 0.268 650 T C 1.917 176.668 174.700 0.086 0.000 1.073 650 T CA 1.002 63.170 62.100 0.113 0.000 1.134 650 T CB -0.068 68.882 68.868 0.138 0.000 0.884 650 T HN 0.269 nan 8.240 nan 0.000 0.479 651 K N 0.856 121.297 120.400 0.068 0.000 2.097 651 K HA 0.052 4.371 4.320 -0.001 0.000 0.206 651 K C 1.168 177.793 176.600 0.042 0.000 1.049 651 K CA 1.051 57.364 56.287 0.043 0.000 0.933 651 K CB 0.004 32.517 32.500 0.023 0.000 0.717 651 K HN 0.221 nan 8.250 nan 0.000 0.442 652 A N 0.535 123.383 122.820 0.046 0.000 3.106 652 A HA 0.158 4.477 4.320 -0.001 0.000 0.306 652 A C 0.883 178.490 177.584 0.039 0.000 1.192 652 A CA -0.449 51.610 52.037 0.037 0.000 0.994 652 A CB 0.160 19.181 19.000 0.034 0.000 1.107 652 A HN 0.198 nan 8.150 nan 0.000 0.585 653 K N 0.138 120.567 120.400 0.049 0.000 2.190 653 K HA 0.174 4.493 4.320 -0.001 0.000 0.202 653 K C 1.354 177.961 176.600 0.013 0.000 1.045 653 K CA 0.571 56.888 56.287 0.050 0.000 0.976 653 K CB -0.163 32.394 32.500 0.095 0.000 0.849 653 K HN 0.441 nan 8.250 nan 0.000 0.468 654 I N 2.145 122.731 120.570 0.026 0.000 2.231 654 I HA -0.384 3.786 4.170 -0.001 0.000 0.251 654 I C 0.354 176.430 176.117 -0.069 0.000 1.076 654 I CA 1.770 63.063 61.300 -0.011 0.000 1.347 654 I CB -0.462 37.547 38.000 0.013 0.000 1.038 654 I HN 0.347 nan 8.210 nan 0.000 0.429 655 N N -0.227 118.443 118.700 -0.049 0.000 2.380 655 N HA 0.134 4.874 4.740 -0.001 0.000 0.255 655 N C -0.804 174.663 175.510 -0.072 0.000 1.158 655 N CA -0.106 52.903 53.050 -0.068 0.000 0.878 655 N CB 0.693 39.155 38.487 -0.041 0.000 1.138 655 N HN 0.114 nan 8.380 nan 0.000 0.509 656 T N 0.501 115.005 114.554 -0.084 0.000 2.841 656 T HA 0.269 4.619 4.350 -0.001 0.000 0.285 656 T C -0.033 174.583 174.700 -0.141 0.000 0.991 656 T CA -0.540 61.516 62.100 -0.073 0.000 0.966 656 T CB 2.032 70.901 68.868 0.002 0.000 0.962 656 T HN 0.109 nan 8.240 nan 0.000 0.438 657 I N 6.080 126.501 120.570 -0.250 0.000 2.668 657 I HA 0.129 4.299 4.170 -0.001 0.000 0.285 657 I C -1.645 174.390 176.117 -0.137 0.000 1.168 657 I CA -1.796 59.297 61.300 -0.346 0.000 1.424 657 I CB 1.008 38.526 38.000 -0.804 0.000 1.377 657 I HN 0.373 nan 8.210 nan 0.000 0.560 658 P HA 0.100 nan 4.420 nan 0.000 0.272 658 P C -0.596 176.722 177.300 0.029 0.000 1.240 658 P CA -0.283 62.799 63.100 -0.029 0.000 0.791 658 P CB 0.457 32.138 31.700 -0.031 0.000 0.978 659 T N -0.268 114.283 114.554 -0.005 0.000 2.754 659 T HA 0.053 4.402 4.350 -0.001 0.000 0.286 659 T C 1.642 176.403 174.700 0.102 0.000 0.997 659 T CA -0.142 61.948 62.100 -0.016 0.000 0.982 659 T CB 0.174 68.969 68.868 -0.122 0.000 1.027 659 T HN 0.523 nan 8.240 nan 0.000 0.529 660 S N 0.684 116.454 115.700 0.117 0.000 2.351 660 S HA -0.160 4.309 4.470 -0.001 0.000 0.220 660 S C 2.341 177.044 174.600 0.171 0.000 1.035 660 S CA 1.403 59.706 58.200 0.171 0.000 1.031 660 S CB -0.980 62.300 63.200 0.133 0.000 0.928 660 S HN 0.777 nan 8.310 nan 0.000 0.433 661 A N 0.966 123.837 122.820 0.085 0.000 1.933 661 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 661 A C 2.117 179.731 177.584 0.050 0.000 1.175 661 A CA 1.743 53.808 52.037 0.047 0.000 0.628 661 A CB -0.897 18.109 19.000 0.010 0.000 0.814 661 A HN 0.802 nan 8.150 nan 0.000 0.444 662 E N -1.734 118.508 120.200 0.069 0.000 2.338 662 E HA -0.148 4.201 4.350 -0.001 0.000 0.197 662 E C 1.472 178.181 176.600 0.181 0.000 1.007 662 E CA 0.829 57.278 56.400 0.082 0.000 0.849 662 E CB -0.125 29.612 29.700 0.063 0.000 0.774 662 E HN 0.623 nan 8.360 nan 0.000 0.506 663 F N 1.015 120.990 119.950 0.041 0.000 2.138 663 F HA 0.067 4.593 4.527 -0.001 0.000 0.283 663 F C 1.937 177.755 175.800 0.030 0.000 1.100 663 F CA 0.765 58.818 58.000 0.088 0.000 1.189 663 F CB -0.763 38.278 39.000 0.067 0.000 1.060 663 F HN -0.101 nan 8.300 nan 0.000 0.492 664 I N 0.570 121.034 120.570 -0.176 0.000 2.181 664 I HA -0.422 3.747 4.170 -0.001 0.000 0.247 664 I C 2.381 178.356 176.117 -0.237 0.000 1.081 664 I CA 1.750 62.873 61.300 -0.295 0.000 1.340 664 I CB -0.559 37.380 38.000 -0.103 0.000 1.036 664 I HN 0.191 nan 8.210 nan 0.000 0.417 665 K N 1.415 121.738 120.400 -0.129 0.000 1.977 665 K HA -0.209 4.110 4.320 -0.001 0.000 0.218 665 K C 1.693 178.167 176.600 -0.210 0.000 1.051 665 K CA 2.131 58.342 56.287 -0.126 0.000 0.953 665 K CB -0.461 32.001 32.500 -0.064 0.000 0.727 665 K HN 0.334 nan 8.250 nan 0.000 0.445 666 N N 0.138 118.699 118.700 -0.232 0.000 2.133 666 N HA -0.230 4.509 4.740 -0.001 0.000 0.193 666 N C 1.719 176.851 175.510 -0.629 0.000 1.012 666 N CA 1.510 54.291 53.050 -0.448 0.000 0.871 666 N CB -0.254 37.861 38.487 -0.620 0.000 1.011 666 N HN 0.116 nan 8.380 nan 0.000 0.435 667 L N 0.340 121.213 121.223 -0.583 0.000 1.961 667 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 667 L C 2.706 179.374 176.870 -0.336 0.000 1.072 667 L CA 0.986 55.524 54.840 -0.503 0.000 0.749 667 L CB -1.047 40.789 42.059 -0.371 0.000 0.889 667 L HN 0.167 nan 8.230 nan 0.000 0.432 668 S N -0.439 115.107 115.700 -0.257 0.000 2.414 668 S HA -0.357 4.112 4.470 -0.001 0.000 0.241 668 S C 2.277 176.769 174.600 -0.180 0.000 1.079 668 S CA 2.326 60.417 58.200 -0.180 0.000 1.087 668 S CB -0.413 62.697 63.200 -0.151 0.000 0.927 668 S HN 0.489 nan 8.310 nan 0.000 0.456 669 S N 0.521 116.083 115.700 -0.230 0.000 2.355 669 S HA 0.023 4.492 4.470 -0.001 0.000 0.222 669 S C 1.773 176.241 174.600 -0.219 0.000 1.031 669 S CA 1.377 59.449 58.200 -0.212 0.000 0.993 669 S CB -0.579 62.481 63.200 -0.233 0.000 0.859 669 S HN 0.680 nan 8.310 nan 0.000 0.453 670 I N 0.736 121.113 120.570 -0.321 0.000 2.676 670 I HA -0.007 4.163 4.170 -0.001 0.000 0.259 670 I C 2.692 178.756 176.117 -0.088 0.000 1.194 670 I CA 0.592 61.717 61.300 -0.291 0.000 1.473 670 I CB -0.480 37.145 38.000 -0.624 0.000 1.096 670 I HN 0.258 nan 8.210 nan 0.000 0.443 671 R N 1.442 121.908 120.500 -0.056 0.000 2.070 671 R HA -0.130 4.209 4.340 -0.001 0.000 0.232 671 R C 2.421 178.706 176.300 -0.026 0.000 1.138 671 R CA 1.264 57.376 56.100 0.020 0.000 0.936 671 R CB -0.157 30.117 30.300 -0.042 0.000 0.839 671 R HN 0.078 nan 8.270 nan 0.000 0.429 672 R N 0.384 120.847 120.500 -0.063 0.000 2.355 672 R HA -0.061 4.279 4.340 -0.001 0.000 0.219 672 R C 1.687 177.958 176.300 -0.049 0.000 1.107 672 R CA 0.959 57.025 56.100 -0.058 0.000 1.021 672 R CB -0.407 29.852 30.300 -0.069 0.000 0.852 672 R HN 0.253 nan 8.270 nan 0.000 0.475 673 S N -0.734 114.939 115.700 -0.045 0.000 2.885 673 S HA 0.037 4.506 4.470 -0.001 0.000 0.172 673 S C 0.066 174.658 174.600 -0.013 0.000 0.703 673 S CA 0.288 58.465 58.200 -0.038 0.000 0.820 673 S CB -0.200 62.965 63.200 -0.058 0.000 0.766 673 S HN 0.366 nan 8.310 nan 0.000 0.605 674 S N 2.740 118.446 115.700 0.009 0.000 2.515 674 S HA 0.200 4.670 4.470 -0.001 0.000 0.285 674 S C 0.042 174.657 174.600 0.026 0.000 1.265 674 S CA -0.376 57.840 58.200 0.028 0.000 1.079 674 S CB -0.161 63.081 63.200 0.070 0.000 0.877 674 S HN 0.483 nan 8.310 nan 0.000 0.493 675 N N 2.318 121.019 118.700 0.001 0.000 2.926 675 N HA 0.170 4.909 4.740 -0.001 0.000 0.284 675 N C -0.271 175.224 175.510 -0.024 0.000 1.303 675 N CA 0.381 53.423 53.050 -0.013 0.000 1.062 675 N CB -0.144 38.331 38.487 -0.021 0.000 1.389 675 N HN 0.852 nan 8.380 nan 0.000 0.538 676 V N -0.867 119.037 119.914 -0.016 0.000 2.524 676 V HA 0.676 4.796 4.120 -0.001 0.000 0.297 676 V C 0.832 176.847 176.094 -0.132 0.000 1.035 676 V CA -0.900 61.353 62.300 -0.078 0.000 0.867 676 V CB 1.501 33.271 31.823 -0.089 0.000 1.004 676 V HN 0.149 nan 8.190 nan 0.000 0.426 677 G N 1.854 110.541 108.800 -0.189 0.000 2.616 677 G HA2 0.460 4.420 3.960 -0.001 0.000 0.268 677 G HA3 0.460 4.420 3.960 -0.001 0.000 0.268 677 G C 1.006 175.614 174.900 -0.486 0.000 1.213 677 G CA 0.447 45.402 45.100 -0.241 0.000 0.926 677 G HN 1.210 nan 8.290 nan 0.000 0.523 678 V N -0.608 119.095 119.914 -0.352 0.000 2.469 678 V HA -0.022 4.098 4.120 -0.001 0.000 0.251 678 V C 0.745 176.783 176.094 -0.094 0.000 1.064 678 V CA 1.814 63.961 62.300 -0.256 0.000 1.066 678 V CB -1.741 30.213 31.823 0.218 0.000 0.667 678 V HN 0.664 nan 8.190 nan 0.000 0.461 679 Y N -0.999 119.248 120.300 -0.088 0.000 2.442 679 Y HA 0.746 5.296 4.550 -0.001 0.000 0.344 679 Y C -0.497 175.373 175.900 -0.050 0.000 0.976 679 Y CA -2.245 55.818 58.100 -0.061 0.000 1.040 679 Y CB 1.188 39.626 38.460 -0.036 0.000 1.228 679 Y HN -0.120 nan 8.280 nan 0.000 0.451 680 K N 1.461 121.941 120.400 0.133 0.000 2.090 680 K HA 0.216 4.536 4.320 -0.001 0.000 0.249 680 K C -1.089 175.625 176.600 0.190 0.000 0.995 680 K CA -0.761 55.570 56.287 0.073 0.000 0.914 680 K CB 0.972 33.485 32.500 0.022 0.000 1.057 680 K HN 0.920 nan 8.250 nan 0.000 0.462 681 D N 1.498 121.971 120.400 0.121 0.000 2.453 681 D HA 0.112 4.752 4.640 -0.001 0.000 0.223 681 D C -0.697 175.652 176.300 0.082 0.000 1.183 681 D CA 0.232 54.308 54.000 0.126 0.000 0.933 681 D CB 0.147 40.998 40.800 0.086 0.000 1.038 681 D HN 0.546 nan 8.370 nan 0.000 0.513 682 S N 0.980 116.732 115.700 0.087 0.000 2.973 682 S HA 0.671 5.140 4.470 -0.001 0.000 0.317 682 S C 0.920 175.549 174.600 0.048 0.000 1.196 682 S CA -0.222 58.011 58.200 0.055 0.000 0.894 682 S CB 1.027 64.255 63.200 0.046 0.000 1.292 682 S HN 0.184 nan 8.310 nan 0.000 0.614 683 G N -0.623 108.193 108.800 0.026 0.000 2.939 683 G HA2 0.346 4.306 3.960 -0.001 0.000 0.216 683 G HA3 0.346 4.306 3.960 -0.001 0.000 0.216 683 G C 0.422 175.322 174.900 0.000 0.000 1.125 683 G CA 0.579 45.681 45.100 0.004 0.000 0.766 683 G HN 1.251 nan 8.290 nan 0.000 0.541 684 D N 1.833 122.245 120.400 0.020 0.000 2.536 684 D HA 0.171 4.811 4.640 -0.001 0.000 0.260 684 D C 1.241 177.561 176.300 0.033 0.000 1.270 684 D CA -0.125 53.888 54.000 0.021 0.000 0.934 684 D CB 0.128 40.946 40.800 0.031 0.000 1.129 684 D HN 0.055 nan 8.370 nan 0.000 0.533 685 K N 1.559 121.956 120.400 -0.005 0.000 2.633 685 K HA -0.049 4.270 4.320 -0.001 0.000 0.193 685 K C 0.650 177.296 176.600 0.077 0.000 1.033 685 K CA 0.363 56.641 56.287 -0.015 0.000 0.980 685 K CB 0.251 32.701 32.500 -0.083 0.000 0.800 685 K HN 0.579 nan 8.250 nan 0.000 0.493 686 D N 0.355 120.795 120.400 0.066 0.000 2.259 686 D HA -0.075 4.564 4.640 -0.001 0.000 0.216 686 D C 1.813 178.161 176.300 0.081 0.000 0.961 686 D CA 0.627 54.665 54.000 0.063 0.000 0.878 686 D CB 0.321 41.141 40.800 0.033 0.000 1.009 686 D HN 0.119 nan 8.370 nan 0.000 0.490 687 E N 0.357 120.611 120.200 0.091 0.000 2.006 687 E HA -0.127 4.223 4.350 -0.001 0.000 0.192 687 E C 1.953 178.621 176.600 0.113 0.000 0.993 687 E CA 0.777 57.235 56.400 0.096 0.000 0.808 687 E CB -0.633 29.130 29.700 0.104 0.000 0.764 687 E HN 0.267 nan 8.360 nan 0.000 0.449 688 F N 0.733 120.655 119.950 -0.047 0.000 2.184 688 F HA -0.300 4.227 4.527 -0.001 0.000 0.301 688 F C 1.891 177.636 175.800 -0.092 0.000 1.076 688 F CA 1.776 59.716 58.000 -0.101 0.000 1.295 688 F CB -0.367 38.584 39.000 -0.081 0.000 1.026 688 F HN 0.123 nan 8.300 nan 0.000 0.494 689 A N 0.844 123.819 122.820 0.258 0.000 1.873 689 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 689 A C 2.285 179.811 177.584 -0.096 0.000 1.193 689 A CA 2.182 54.278 52.037 0.097 0.000 0.629 689 A CB -0.840 18.228 19.000 0.112 0.000 0.826 689 A HN 0.520 nan 8.150 nan 0.000 0.447 690 K N -0.504 119.864 120.400 -0.054 0.000 2.002 690 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 690 K C 2.306 178.843 176.600 -0.106 0.000 1.048 690 K CA 1.539 57.792 56.287 -0.056 0.000 0.930 690 K CB -0.241 32.261 32.500 0.004 0.000 0.714 690 K HN 0.502 nan 8.250 nan 0.000 0.438 691 K N 1.515 121.789 120.400 -0.211 0.000 2.000 691 K HA -0.279 4.041 4.320 -0.001 0.000 0.218 691 K C 2.067 178.416 176.600 -0.419 0.000 1.053 691 K CA 2.047 58.061 56.287 -0.455 0.000 0.946 691 K CB -0.153 31.753 32.500 -0.990 0.000 0.723 691 K HN -0.059 nan 8.250 nan 0.000 0.446 692 E N 0.629 120.454 120.200 -0.625 0.000 2.147 692 E HA -0.191 4.159 4.350 -0.001 0.000 0.199 692 E C 1.984 178.420 176.600 -0.274 0.000 1.005 692 E CA 1.631 57.715 56.400 -0.528 0.000 0.810 692 E CB -0.471 28.799 29.700 -0.716 0.000 0.736 692 E HN 0.308 nan 8.360 nan 0.000 0.460 693 S N -1.122 114.448 115.700 -0.216 0.000 2.370 693 S HA -0.171 4.298 4.470 -0.001 0.000 0.226 693 S C 2.028 176.588 174.600 -0.067 0.000 1.033 693 S CA 1.508 59.627 58.200 -0.135 0.000 1.011 693 S CB -0.431 62.703 63.200 -0.110 0.000 0.852 693 S HN 0.334 nan 8.310 nan 0.000 0.457 694 V N 0.165 120.097 119.914 0.030 0.000 2.358 694 V HA -0.018 4.101 4.120 -0.001 0.000 0.246 694 V C 2.168 178.335 176.094 0.120 0.000 1.047 694 V CA 2.126 64.547 62.300 0.203 0.000 1.035 694 V CB -1.093 30.909 31.823 0.299 0.000 0.658 694 V HN 0.426 nan 8.190 nan 0.000 0.452 695 K N 0.347 120.754 120.400 0.011 0.000 2.366 695 K HA -0.240 4.080 4.320 -0.001 0.000 0.202 695 K C 2.108 178.686 176.600 -0.037 0.000 1.045 695 K CA 1.887 58.166 56.287 -0.014 0.000 0.934 695 K CB -0.094 32.353 32.500 -0.088 0.000 0.746 695 K HN 0.641 nan 8.250 nan 0.000 0.470 696 K N -0.242 120.091 120.400 -0.113 0.000 2.141 696 K HA 0.065 4.385 4.320 -0.001 0.000 0.202 696 K C 1.965 178.335 176.600 -0.384 0.000 1.045 696 K CA 0.825 56.946 56.287 -0.276 0.000 0.971 696 K CB 0.069 32.336 32.500 -0.387 0.000 0.795 696 K HN 0.085 nan 8.250 nan 0.000 0.459 697 I N 1.499 121.924 120.570 -0.242 0.000 2.454 697 I HA -0.193 3.976 4.170 -0.001 0.000 0.254 697 I C 2.041 178.145 176.117 -0.022 0.000 1.156 697 I CA 0.770 61.948 61.300 -0.204 0.000 1.433 697 I CB -0.264 37.658 38.000 -0.130 0.000 1.082 697 I HN 0.088 nan 8.210 nan 0.000 0.432 698 A N 0.452 123.360 122.820 0.147 0.000 2.252 698 A HA 0.242 4.561 4.320 -0.001 0.000 0.207 698 A C 1.962 179.635 177.584 0.149 0.000 1.194 698 A CA 1.047 53.227 52.037 0.238 0.000 0.809 698 A CB -0.704 18.446 19.000 0.251 0.000 0.814 698 A HN 0.467 nan 8.150 nan 0.000 0.482 699 G N -1.807 107.062 108.800 0.116 0.000 2.834 699 G HA2 0.103 4.063 3.960 -0.001 0.000 0.204 699 G HA3 0.103 4.063 3.960 -0.001 0.000 0.204 699 G C 1.245 176.307 174.900 0.270 0.000 1.176 699 G CA 0.418 45.621 45.100 0.172 0.000 0.818 699 G HN 0.450 nan 8.290 nan 0.000 0.638 700 Y N 0.965 121.274 120.300 0.015 0.000 2.096 700 Y HA -0.246 4.303 4.550 -0.000 0.000 0.278 700 Y C 2.811 178.732 175.900 0.036 0.000 1.192 700 Y CA 0.757 58.853 58.100 -0.005 0.000 1.143 700 Y CB -0.233 38.191 38.460 -0.061 0.000 0.963 700 Y HN 0.079 nan 8.280 nan 0.000 0.505 701 L N -0.957 120.384 121.223 0.198 0.000 2.005 701 L HA -0.239 4.100 4.340 -0.001 0.000 0.207 701 L C 2.793 179.815 176.870 0.253 0.000 1.072 701 L CA 1.403 56.336 54.840 0.155 0.000 0.744 701 L CB -0.724 41.367 42.059 0.054 0.000 0.895 701 L HN 0.155 nan 8.230 nan 0.000 0.433 702 S N -0.017 115.813 115.700 0.217 0.000 2.370 702 S HA -0.226 4.243 4.470 -0.001 0.000 0.226 702 S C 1.559 176.289 174.600 0.216 0.000 1.033 702 S CA 1.898 60.228 58.200 0.215 0.000 1.011 702 S CB -0.337 62.957 63.200 0.156 0.000 0.852 702 S HN 0.414 nan 8.310 nan 0.000 0.457 703 D N -0.359 120.148 120.400 0.178 0.000 2.263 703 D HA -0.061 4.579 4.640 -0.001 0.000 0.208 703 D C 1.389 177.740 176.300 0.085 0.000 0.971 703 D CA 0.891 54.957 54.000 0.110 0.000 0.867 703 D CB -0.492 40.349 40.800 0.067 0.000 0.929 703 D HN 0.665 nan 8.370 nan 0.000 0.492 704 Y N 0.506 120.801 120.300 -0.008 0.000 2.070 704 Y HA -0.224 4.326 4.550 -0.001 0.000 0.279 704 Y C 0.651 176.432 175.900 -0.198 0.000 1.134 704 Y CA 1.349 59.362 58.100 -0.145 0.000 1.113 704 Y CB -0.316 37.999 38.460 -0.241 0.000 0.981 704 Y HN -0.097 nan 8.280 nan 0.000 0.487 705 Y N 1.849 122.333 120.300 0.308 0.000 2.724 705 Y HA 0.089 4.638 4.550 -0.001 0.000 0.354 705 Y C -0.014 175.926 175.900 0.067 0.000 1.270 705 Y CA -0.454 57.758 58.100 0.186 0.000 1.902 705 Y CB -0.911 37.660 38.460 0.185 0.000 1.981 705 Y HN 0.095 nan 8.280 nan 0.000 0.428 706 N N 0.170 118.913 118.700 0.073 0.000 2.422 706 N HA 0.055 4.795 4.740 -0.001 0.000 0.266 706 N C 0.750 176.268 175.510 0.012 0.000 1.007 706 N CA 0.147 53.217 53.050 0.033 0.000 0.941 706 N CB 1.378 39.845 38.487 -0.034 0.000 1.115 706 N HN 0.224 nan 8.380 nan 0.000 0.492 707 S N 2.424 118.146 115.700 0.036 0.000 2.419 707 S HA -0.132 4.337 4.470 -0.001 0.000 0.235 707 S C 1.394 176.022 174.600 0.047 0.000 1.019 707 S CA 1.297 59.513 58.200 0.026 0.000 0.982 707 S CB -0.054 63.155 63.200 0.013 0.000 0.789 707 S HN 0.743 nan 8.310 nan 0.000 0.490 708 A N 0.990 123.823 122.820 0.021 0.000 2.276 708 A HA 0.180 4.500 4.320 -0.001 0.000 0.212 708 A C 1.441 178.906 177.584 -0.197 0.000 1.230 708 A CA -0.042 52.013 52.037 0.030 0.000 0.844 708 A CB -0.576 18.388 19.000 -0.060 0.000 0.860 708 A HN 0.541 nan 8.150 nan 0.000 0.486 709 N N 0.017 118.609 118.700 -0.181 0.000 2.550 709 N HA -0.156 4.583 4.740 -0.001 0.000 0.186 709 N C 1.598 176.952 175.510 -0.259 0.000 1.110 709 N CA 0.683 53.507 53.050 -0.376 0.000 0.912 709 N CB -0.099 38.269 38.487 -0.199 0.000 0.968 709 N HN 0.836 nan 8.380 nan 0.000 0.448 710 H N 1.361 120.312 119.070 -0.200 0.000 2.357 710 H HA -0.088 4.468 4.556 -0.001 0.000 0.301 710 H C 1.792 177.111 175.328 -0.014 0.000 1.082 710 H CA 0.773 56.777 56.048 -0.073 0.000 1.342 710 H CB -0.921 28.819 29.762 -0.037 0.000 1.389 710 H HN 0.313 nan 8.280 nan 0.000 0.511 711 I N -2.008 118.108 120.570 -0.757 0.000 3.398 711 I HA 0.101 4.270 4.170 -0.001 0.000 0.321 711 I C -0.191 176.106 176.117 0.299 0.000 1.220 711 I CA 0.430 61.526 61.300 -0.340 0.000 1.242 711 I CB -1.110 36.678 38.000 -0.353 0.000 0.997 711 I HN -0.032 nan 8.210 nan 0.000 0.582 712 F N 0.459 120.348 119.950 -0.102 0.000 2.746 712 F HA 0.587 5.114 4.527 -0.001 0.000 0.378 712 F C 0.368 176.160 175.800 -0.014 0.000 1.165 712 F CA -1.372 56.603 58.000 -0.042 0.000 1.089 712 F CB 1.819 40.804 39.000 -0.025 0.000 1.439 712 F HN 0.016 nan 8.300 nan 0.000 0.516 713 S N 0.236 116.049 115.700 0.188 0.000 2.647 713 S HA 0.279 4.748 4.470 -0.001 0.000 0.300 713 S C -0.188 174.468 174.600 0.094 0.000 1.129 713 S CA -0.787 57.477 58.200 0.106 0.000 1.029 713 S CB 1.989 65.220 63.200 0.051 0.000 1.007 713 S HN 0.602 nan 8.310 nan 0.000 0.484 714 Q N 2.162 122.016 119.800 0.090 0.000 2.463 714 Q HA -0.351 3.989 4.340 -0.001 0.000 0.231 714 Q C 1.705 177.753 176.000 0.080 0.000 1.097 714 Q CA 2.838 58.691 55.803 0.083 0.000 0.992 714 Q CB -1.016 27.765 28.738 0.072 0.000 0.999 714 Q HN 1.020 nan 8.270 nan 0.000 0.536 715 E N -0.396 119.840 120.200 0.059 0.000 2.147 715 E HA -0.324 4.026 4.350 -0.001 0.000 0.199 715 E C 1.714 178.351 176.600 0.062 0.000 1.005 715 E CA 1.952 58.382 56.400 0.049 0.000 0.810 715 E CB -0.124 29.587 29.700 0.018 0.000 0.736 715 E HN 0.212 nan 8.360 nan 0.000 0.460 716 K N 1.050 121.488 120.400 0.064 0.000 1.967 716 K HA -0.165 4.155 4.320 -0.001 0.000 0.212 716 K C 1.843 178.535 176.600 0.152 0.000 1.044 716 K CA 2.124 58.461 56.287 0.084 0.000 0.942 716 K CB -0.286 32.236 32.500 0.036 0.000 0.726 716 K HN -0.004 nan 8.250 nan 0.000 0.440 717 K N 0.398 120.902 120.400 0.173 0.000 2.066 717 K HA -0.300 4.020 4.320 -0.001 0.000 0.221 717 K C 2.204 178.854 176.600 0.084 0.000 1.056 717 K CA 2.566 58.935 56.287 0.137 0.000 0.950 717 K CB -0.431 32.123 32.500 0.090 0.000 0.726 717 K HN 0.237 nan 8.250 nan 0.000 0.456 718 R N 1.201 121.754 120.500 0.089 0.000 2.132 718 R HA -0.204 4.136 4.340 -0.001 0.000 0.233 718 R C 2.385 178.779 176.300 0.158 0.000 1.125 718 R CA 1.963 58.120 56.100 0.096 0.000 0.914 718 R CB -0.593 29.773 30.300 0.111 0.000 0.845 718 R HN 0.198 nan 8.270 nan 0.000 0.431 719 K N 0.633 121.159 120.400 0.209 0.000 1.975 719 K HA -0.212 4.108 4.320 -0.001 0.000 0.225 719 K C 2.106 178.967 176.600 0.436 0.000 1.050 719 K CA 1.820 58.327 56.287 0.367 0.000 0.992 719 K CB -0.690 31.980 32.500 0.284 0.000 0.738 719 K HN 0.091 nan 8.250 nan 0.000 0.446 720 I N 1.037 121.843 120.570 0.394 0.000 2.354 720 I HA -0.402 3.768 4.170 -0.001 0.000 0.258 720 I C 1.551 177.749 176.117 0.134 0.000 1.111 720 I CA 1.842 63.317 61.300 0.292 0.000 1.390 720 I CB -0.126 38.026 38.000 0.254 0.000 1.072 720 I HN 0.130 nan 8.210 nan 0.000 0.441 721 S N -0.107 115.631 115.700 0.062 0.000 2.427 721 S HA 0.189 4.658 4.470 -0.001 0.000 0.224 721 S C 1.835 176.474 174.600 0.066 0.000 1.047 721 S CA 0.836 58.952 58.200 -0.140 0.000 0.953 721 S CB -0.262 62.658 63.200 -0.466 0.000 0.824 721 S HN 0.507 nan 8.310 nan 0.000 0.502 722 I N 1.016 121.705 120.570 0.199 0.000 2.479 722 I HA -0.240 3.929 4.170 -0.001 0.000 0.258 722 I C 1.987 178.245 176.117 0.235 0.000 1.165 722 I CA 1.284 62.758 61.300 0.291 0.000 1.422 722 I CB -0.276 38.005 38.000 0.468 0.000 1.087 722 I HN 0.208 nan 8.210 nan 0.000 0.441 723 F N 1.486 121.423 119.950 -0.022 0.000 2.104 723 F HA 0.001 4.528 4.527 -0.001 0.000 0.288 723 F C 2.624 178.360 175.800 -0.107 0.000 1.107 723 F CA 1.118 59.009 58.000 -0.183 0.000 1.208 723 F CB -0.426 38.441 39.000 -0.221 0.000 1.033 723 F HN -0.191 nan 8.300 nan 0.000 0.478 724 R N 0.504 120.937 120.500 -0.111 0.000 2.140 724 R HA -0.221 4.119 4.340 -0.001 0.000 0.250 724 R C 2.320 178.565 176.300 -0.091 0.000 1.150 724 R CA 1.430 57.412 56.100 -0.197 0.000 0.966 724 R CB -1.768 28.480 30.300 -0.086 0.000 0.869 724 R HN 0.511 nan 8.270 nan 0.000 0.445 725 G N 1.292 110.134 108.800 0.069 0.000 2.511 725 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 725 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 725 G C 1.619 176.538 174.900 0.033 0.000 1.218 725 G CA 0.751 45.915 45.100 0.106 0.000 0.788 725 G HN 0.208 nan 8.290 nan 0.000 0.560 726 I N 0.377 120.963 120.570 0.027 0.000 2.087 726 I HA -0.320 3.850 4.170 -0.001 0.000 0.240 726 I C 3.076 179.153 176.117 -0.067 0.000 1.054 726 I CA 1.665 63.012 61.300 0.079 0.000 1.311 726 I CB -0.396 37.680 38.000 0.126 0.000 1.024 726 I HN 0.274 nan 8.210 nan 0.000 0.402 727 Q N 0.054 119.634 119.800 -0.367 0.000 2.182 727 Q HA -0.326 4.014 4.340 -0.001 0.000 0.213 727 Q C 2.286 178.360 176.000 0.122 0.000 1.000 727 Q CA 2.287 57.838 55.803 -0.419 0.000 0.889 727 Q CB -0.308 27.889 28.738 -0.901 0.000 0.932 727 Q HN 0.678 nan 8.270 nan 0.000 0.415 728 A N -0.303 122.629 122.820 0.185 0.000 1.878 728 A HA -0.158 4.161 4.320 -0.001 0.000 0.213 728 A C 1.796 179.394 177.584 0.024 0.000 1.192 728 A CA 0.931 53.087 52.037 0.198 0.000 0.619 728 A CB -0.925 18.140 19.000 0.108 0.000 0.837 728 A HN 0.525 nan 8.150 nan 0.000 0.446 729 Y N 1.478 121.719 120.300 -0.099 0.000 2.298 729 Y HA -0.273 4.277 4.550 -0.000 0.000 0.287 729 Y C 2.263 178.078 175.900 -0.141 0.000 1.164 729 Y CA 1.960 59.983 58.100 -0.130 0.000 1.229 729 Y CB -0.116 38.289 38.460 -0.092 0.000 0.977 729 Y HN 0.477 nan 8.280 nan 0.000 0.538 730 N N 0.389 119.103 118.700 0.023 0.000 2.085 730 N HA -0.206 4.534 4.740 -0.001 0.000 0.191 730 N C 1.725 177.144 175.510 -0.151 0.000 1.058 730 N CA 1.534 54.537 53.050 -0.077 0.000 0.849 730 N CB -0.469 37.742 38.487 -0.459 0.000 1.038 730 N HN 0.324 nan 8.380 nan 0.000 0.434 731 E N 0.748 120.846 120.200 -0.170 0.000 2.301 731 E HA -0.180 4.170 4.350 -0.001 0.000 0.202 731 E C 1.933 178.416 176.600 -0.196 0.000 1.017 731 E CA 0.491 56.774 56.400 -0.196 0.000 0.831 731 E CB -0.130 29.384 29.700 -0.309 0.000 0.742 731 E HN 0.467 nan 8.360 nan 0.000 0.491 732 I N -0.005 120.441 120.570 -0.206 0.000 2.185 732 I HA -0.195 3.974 4.170 -0.001 0.000 0.235 732 I C 2.415 178.364 176.117 -0.280 0.000 1.069 732 I CA 0.834 62.002 61.300 -0.221 0.000 1.354 732 I CB -1.248 36.628 38.000 -0.206 0.000 1.093 732 I HN 0.091 nan 8.210 nan 0.000 0.411 733 E N 1.313 121.324 120.200 -0.316 0.000 2.253 733 E HA -0.305 4.045 4.350 -0.001 0.000 0.202 733 E C 1.802 178.319 176.600 -0.138 0.000 1.014 733 E CA 1.925 58.187 56.400 -0.230 0.000 0.823 733 E CB -0.166 29.440 29.700 -0.157 0.000 0.736 733 E HN 0.396 nan 8.360 nan 0.000 0.478 734 N N -0.902 117.714 118.700 -0.139 0.000 2.028 734 N HA -0.160 4.580 4.740 -0.001 0.000 0.194 734 N C 1.581 177.008 175.510 -0.138 0.000 1.050 734 N CA 2.141 55.127 53.050 -0.107 0.000 0.848 734 N CB -0.167 38.253 38.487 -0.111 0.000 1.038 734 N HN 0.068 nan 8.380 nan 0.000 0.423 735 V N 0.625 120.410 119.914 -0.215 0.000 2.427 735 V HA -0.125 3.994 4.120 -0.001 0.000 0.248 735 V C 2.175 178.111 176.094 -0.264 0.000 1.051 735 V CA 1.066 63.212 62.300 -0.256 0.000 1.048 735 V CB -0.703 30.885 31.823 -0.392 0.000 0.666 735 V HN 0.379 nan 8.190 nan 0.000 0.456 736 L N -0.270 120.774 121.223 -0.299 0.000 2.551 736 L HA -0.108 4.231 4.340 -0.001 0.000 0.230 736 L C 2.007 178.815 176.870 -0.104 0.000 1.163 736 L CA 1.826 56.545 54.840 -0.203 0.000 0.826 736 L CB -0.515 41.445 42.059 -0.165 0.000 0.943 736 L HN 0.144 nan 8.230 nan 0.000 0.452 737 K N -1.768 118.575 120.400 -0.094 0.000 2.399 737 K HA 0.269 4.589 4.320 -0.001 0.000 0.196 737 K C 1.375 177.950 176.600 -0.043 0.000 1.103 737 K CA 0.197 56.455 56.287 -0.048 0.000 0.986 737 K CB 0.289 32.772 32.500 -0.028 0.000 0.952 737 K HN 0.221 nan 8.250 nan 0.000 0.541 738 S N 1.488 117.150 115.700 -0.063 0.000 2.659 738 S HA -0.018 4.452 4.470 -0.001 0.000 0.243 738 S C 1.091 175.671 174.600 -0.034 0.000 1.375 738 S CA 0.170 58.343 58.200 -0.046 0.000 0.991 738 S CB 0.342 63.507 63.200 -0.058 0.000 0.898 738 S HN 0.127 nan 8.310 nan 0.000 0.520 739 K N 0.192 120.576 120.400 -0.027 0.000 2.722 739 K HA 0.018 4.337 4.320 -0.001 0.000 0.298 739 K C -0.165 176.422 176.600 -0.022 0.000 1.093 739 K CA 0.316 56.592 56.287 -0.018 0.000 0.935 739 K CB -0.036 32.458 32.500 -0.010 0.000 1.038 739 K HN 0.273 nan 8.250 nan 0.000 0.465 740 Q N 1.808 121.598 119.800 -0.018 0.000 2.566 740 Q HA 0.188 4.528 4.340 -0.001 0.000 0.221 740 Q C -0.679 175.301 176.000 -0.034 0.000 1.195 740 Q CA 0.097 55.889 55.803 -0.018 0.000 0.967 740 Q CB -0.404 28.326 28.738 -0.013 0.000 1.337 740 Q HN 0.365 nan 8.270 nan 0.000 0.553 741 I N -1.224 119.325 120.570 -0.034 0.000 2.312 741 I HA 0.535 4.705 4.170 -0.001 0.000 0.291 741 I C 0.477 176.585 176.117 -0.015 0.000 1.031 741 I CA -1.162 60.103 61.300 -0.058 0.000 1.293 741 I CB 1.018 39.003 38.000 -0.026 0.000 1.403 741 I HN 0.227 nan 8.210 nan 0.000 0.484 742 A N 8.845 131.628 122.820 -0.060 0.000 2.616 742 A HA 0.064 4.384 4.320 -0.001 0.000 0.234 742 A C -0.996 176.663 177.584 0.125 0.000 1.024 742 A CA -0.577 51.472 52.037 0.020 0.000 0.758 742 A CB -0.596 18.407 19.000 0.004 0.000 0.939 742 A HN 0.795 nan 8.150 nan 0.000 0.510 743 P HA -0.192 nan 4.420 nan 0.000 0.231 743 P C 0.714 178.107 177.300 0.156 0.000 1.154 743 P CA 1.413 64.584 63.100 0.119 0.000 0.762 743 P CB 0.144 31.889 31.700 0.075 0.000 0.790 744 E N -0.686 119.640 120.200 0.211 0.000 2.086 744 E HA -0.146 4.204 4.350 -0.001 0.000 0.190 744 E C 1.687 178.439 176.600 0.252 0.000 0.975 744 E CA 1.104 57.623 56.400 0.197 0.000 0.813 744 E CB -1.100 28.724 29.700 0.207 0.000 0.768 744 E HN 0.297 nan 8.360 nan 0.000 0.457 745 Y N 2.033 122.417 120.300 0.141 0.000 2.395 745 Y HA 0.043 4.593 4.550 -0.000 0.000 0.293 745 Y C 2.481 178.629 175.900 0.413 0.000 1.123 745 Y CA 0.385 58.652 58.100 0.278 0.000 1.227 745 Y CB -0.318 38.336 38.460 0.324 0.000 1.012 745 Y HN 0.003 nan 8.280 nan 0.000 0.552 746 K N 1.077 121.732 120.400 0.425 0.000 2.000 746 K HA -0.283 4.037 4.320 -0.001 0.000 0.218 746 K C 1.505 178.287 176.600 0.304 0.000 1.053 746 K CA 2.312 58.779 56.287 0.300 0.000 0.946 746 K CB -0.531 32.073 32.500 0.173 0.000 0.723 746 K HN 0.471 nan 8.250 nan 0.000 0.446 747 N N -0.637 118.203 118.700 0.234 0.000 2.036 747 N HA -0.246 4.493 4.740 -0.001 0.000 0.195 747 N C 1.980 177.632 175.510 0.236 0.000 1.037 747 N CA 1.574 54.736 53.050 0.188 0.000 0.855 747 N CB -0.439 38.122 38.487 0.123 0.000 1.033 747 N HN 0.246 nan 8.380 nan 0.000 0.423 748 Y N 1.534 121.881 120.300 0.079 0.000 2.030 748 Y HA -0.313 4.237 4.550 -0.001 0.000 0.272 748 Y C 2.013 177.975 175.900 0.103 0.000 1.185 748 Y CA 1.621 59.733 58.100 0.020 0.000 1.120 748 Y CB -0.942 37.412 38.460 -0.177 0.000 0.955 748 Y HN -0.007 nan 8.280 nan 0.000 0.495 749 F N 0.531 120.507 119.950 0.044 0.000 2.126 749 F HA -0.291 4.236 4.527 -0.001 0.000 0.299 749 F C 2.574 178.304 175.800 -0.117 0.000 1.096 749 F CA 1.990 59.918 58.000 -0.119 0.000 1.255 749 F CB -0.803 38.202 39.000 0.008 0.000 0.997 749 F HN 0.140 nan 8.300 nan 0.000 0.479 750 Q N -0.792 119.116 119.800 0.179 0.000 2.152 750 Q HA -0.273 4.067 4.340 -0.001 0.000 0.206 750 Q C 2.129 178.169 176.000 0.067 0.000 0.985 750 Q CA 1.981 57.843 55.803 0.099 0.000 0.863 750 Q CB -1.079 27.732 28.738 0.121 0.000 0.904 750 Q HN 0.616 nan 8.270 nan 0.000 0.422 751 Y N 0.810 121.071 120.300 -0.064 0.000 2.184 751 Y HA -0.085 4.464 4.550 -0.001 0.000 0.290 751 Y C 2.078 177.873 175.900 -0.174 0.000 1.129 751 Y CA 0.940 58.985 58.100 -0.092 0.000 1.144 751 Y CB -0.432 37.995 38.460 -0.056 0.000 0.995 751 Y HN -0.034 nan 8.280 nan 0.000 0.513 752 L N 0.436 121.407 121.223 -0.420 0.000 2.189 752 L HA -0.271 4.068 4.340 -0.001 0.000 0.214 752 L C 2.362 179.000 176.870 -0.386 0.000 1.097 752 L CA 1.614 56.122 54.840 -0.553 0.000 0.764 752 L CB -0.525 41.163 42.059 -0.617 0.000 0.900 752 L HN 0.305 nan 8.230 nan 0.000 0.436 753 K N 0.187 120.429 120.400 -0.263 0.000 1.965 753 K HA -0.253 4.067 4.320 -0.001 0.000 0.214 753 K C 1.937 178.460 176.600 -0.127 0.000 1.046 753 K CA 1.707 57.891 56.287 -0.172 0.000 0.944 753 K CB -0.215 32.196 32.500 -0.149 0.000 0.726 753 K HN 0.158 nan 8.250 nan 0.000 0.441 754 E N 0.795 120.913 120.200 -0.137 0.000 2.164 754 E HA -0.295 4.055 4.350 -0.001 0.000 0.206 754 E C 1.942 178.400 176.600 -0.237 0.000 1.032 754 E CA 1.543 57.854 56.400 -0.148 0.000 0.832 754 E CB 0.147 29.778 29.700 -0.115 0.000 0.742 754 E HN 0.134 nan 8.360 nan 0.000 0.460 755 R N 0.163 120.454 120.500 -0.349 0.000 2.177 755 R HA -0.190 4.150 4.340 -0.001 0.000 0.221 755 R C 2.399 178.531 176.300 -0.281 0.000 1.110 755 R CA 1.618 57.514 56.100 -0.341 0.000 0.875 755 R CB -1.261 28.779 30.300 -0.433 0.000 0.810 755 R HN 0.312 nan 8.270 nan 0.000 0.437 756 I N 1.144 121.550 120.570 -0.274 0.000 2.178 756 I HA -0.391 3.779 4.170 -0.001 0.000 0.243 756 I C 2.369 178.248 176.117 -0.395 0.000 1.019 756 I CA 1.996 63.142 61.300 -0.256 0.000 1.294 756 I CB -1.926 35.996 38.000 -0.129 0.000 0.996 756 I HN 0.304 nan 8.210 nan 0.000 0.415 757 T N 1.999 116.249 114.554 -0.506 0.000 2.502 757 T HA -0.199 4.150 4.350 -0.001 0.000 0.258 757 T C 1.719 176.149 174.700 -0.449 0.000 1.146 757 T CA 1.932 63.549 62.100 -0.804 0.000 1.208 757 T CB -0.473 68.074 68.868 -0.534 0.000 0.864 757 T HN 0.342 nan 8.240 nan 0.000 0.402 758 N N 1.053 119.593 118.700 -0.267 0.000 2.089 758 N HA -0.216 4.523 4.740 -0.001 0.000 0.198 758 N C 2.001 177.427 175.510 -0.139 0.000 1.017 758 N CA 1.829 54.784 53.050 -0.158 0.000 0.880 758 N CB -0.606 37.809 38.487 -0.120 0.000 1.042 758 N HN 0.410 nan 8.380 nan 0.000 0.446 759 Q N 1.216 120.915 119.800 -0.167 0.000 2.135 759 Q HA -0.055 4.284 4.340 -0.001 0.000 0.204 759 Q C 1.797 177.755 176.000 -0.069 0.000 0.981 759 Q CA 1.307 57.039 55.803 -0.119 0.000 0.856 759 Q CB -0.146 28.497 28.738 -0.158 0.000 0.902 759 Q HN 0.246 nan 8.270 nan 0.000 0.425 760 V N -0.055 119.788 119.914 -0.118 0.000 2.446 760 V HA -0.117 4.003 4.120 -0.001 0.000 0.244 760 V C 2.203 178.322 176.094 0.042 0.000 1.039 760 V CA 1.394 63.690 62.300 -0.006 0.000 1.045 760 V CB -0.608 31.212 31.823 -0.004 0.000 0.681 760 V HN 0.305 nan 8.190 nan 0.000 0.459 761 Q N 0.074 119.863 119.800 -0.017 0.000 2.197 761 Q HA -0.231 4.109 4.340 -0.001 0.000 0.207 761 Q C 1.881 177.915 176.000 0.056 0.000 0.984 761 Q CA 1.851 57.681 55.803 0.046 0.000 0.869 761 Q CB -0.514 28.232 28.738 0.013 0.000 0.906 761 Q HN 0.569 nan 8.270 nan 0.000 0.426 762 L N -0.660 120.577 121.223 0.023 0.000 1.982 762 L HA -0.077 4.263 4.340 -0.001 0.000 0.206 762 L C 1.903 178.791 176.870 0.030 0.000 1.078 762 L CA 1.621 56.471 54.840 0.016 0.000 0.749 762 L CB -0.832 41.201 42.059 -0.044 0.000 0.894 762 L HN 0.331 nan 8.230 nan 0.000 0.436 763 L N -0.794 120.442 121.223 0.022 0.000 2.151 763 L HA -0.315 4.025 4.340 -0.001 0.000 0.215 763 L C 2.479 179.426 176.870 0.127 0.000 1.084 763 L CA 1.432 56.307 54.840 0.059 0.000 0.764 763 L CB -0.826 41.293 42.059 0.101 0.000 0.891 763 L HN 0.412 nan 8.230 nan 0.000 0.435 764 L N -0.593 120.710 121.223 0.132 0.000 2.034 764 L HA -0.101 4.239 4.340 -0.001 0.000 0.203 764 L C 2.357 179.304 176.870 0.128 0.000 1.074 764 L CA 1.655 56.573 54.840 0.131 0.000 0.748 764 L CB -0.961 41.178 42.059 0.134 0.000 0.905 764 L HN 0.361 nan 8.230 nan 0.000 0.439 765 T N -4.153 110.483 114.554 0.136 0.000 3.650 765 T HA -0.107 4.242 4.350 -0.001 0.000 0.254 765 T C 1.011 175.837 174.700 0.208 0.000 1.130 765 T CA 0.622 62.804 62.100 0.136 0.000 0.984 765 T CB -0.497 68.443 68.868 0.120 0.000 1.039 765 T HN 0.284 nan 8.240 nan 0.000 0.586 766 H N -0.575 118.516 119.070 0.034 0.000 2.788 766 H HA 0.309 4.864 4.556 -0.001 0.000 0.262 766 H C 2.068 177.410 175.328 0.023 0.000 0.968 766 H CA 0.805 56.872 56.048 0.031 0.000 1.218 766 H CB 0.574 30.359 29.762 0.039 0.000 1.443 766 H HN 0.549 nan 8.280 nan 0.000 0.478 767 Q N -0.041 119.819 119.800 0.100 0.000 2.596 767 Q HA 0.122 4.461 4.340 -0.001 0.000 0.190 767 Q C -0.397 175.606 176.000 0.006 0.000 0.905 767 Q CA 0.048 55.875 55.803 0.040 0.000 0.846 767 Q CB 0.812 29.578 28.738 0.047 0.000 1.117 767 Q HN -0.039 nan 8.270 nan 0.000 0.630 768 K N 2.128 122.527 120.400 -0.001 0.000 2.484 768 K HA 0.337 4.656 4.320 -0.001 0.000 0.226 768 K C -1.261 175.335 176.600 -0.007 0.000 1.031 768 K CA -0.127 56.149 56.287 -0.019 0.000 1.026 768 K CB 1.500 33.973 32.500 -0.045 0.000 1.412 768 K HN 0.092 nan 8.250 nan 0.000 0.492 769 S N 2.069 117.772 115.700 0.004 0.000 2.438 769 S HA 0.343 4.812 4.470 -0.001 0.000 0.293 769 S C 0.493 175.100 174.600 0.011 0.000 1.141 769 S CA -0.222 57.989 58.200 0.018 0.000 1.080 769 S CB 0.180 63.398 63.200 0.031 0.000 0.978 769 S HN 0.813 nan 8.310 nan 0.000 0.479 770 N N 2.854 121.563 118.700 0.015 0.000 2.416 770 N HA 0.002 4.741 4.740 -0.001 0.000 0.326 770 N C -0.856 174.665 175.510 0.018 0.000 0.742 770 N CA -0.102 52.955 53.050 0.012 0.000 0.558 770 N CB 0.005 38.491 38.487 -0.002 0.000 2.406 770 N HN 0.457 nan 8.380 nan 0.000 1.113 771 I N 3.262 123.842 120.570 0.016 0.000 2.533 771 I HA 0.167 4.336 4.170 -0.001 0.000 0.284 771 I C 0.272 176.425 176.117 0.060 0.000 1.109 771 I CA 0.631 61.946 61.300 0.025 0.000 1.412 771 I CB 0.231 38.236 38.000 0.009 0.000 1.396 771 I HN 0.139 nan 8.210 nan 0.000 0.543 772 E N 4.012 124.251 120.200 0.064 0.000 2.266 772 E HA 0.143 4.493 4.350 -0.001 0.000 0.277 772 E C 0.409 177.085 176.600 0.127 0.000 1.018 772 E CA -0.545 55.915 56.400 0.099 0.000 0.840 772 E CB 1.352 31.101 29.700 0.081 0.000 1.082 772 E HN 0.462 nan 8.360 nan 0.000 0.395 773 F N 3.985 123.951 119.950 0.026 0.000 2.021 773 F HA -0.357 4.169 4.527 -0.001 0.000 0.297 773 F C 2.340 178.158 175.800 0.029 0.000 1.152 773 F CA 2.368 60.372 58.000 0.007 0.000 1.201 773 F CB -0.186 38.765 39.000 -0.081 0.000 0.951 773 F HN 0.512 nan 8.300 nan 0.000 0.504 774 K N 0.118 120.524 120.400 0.011 0.000 2.081 774 K HA -0.308 4.012 4.320 -0.001 0.000 0.222 774 K C 2.177 178.748 176.600 -0.049 0.000 1.055 774 K CA 2.717 58.987 56.287 -0.029 0.000 0.954 774 K CB -0.815 31.745 32.500 0.099 0.000 0.732 774 K HN 0.509 nan 8.250 nan 0.000 0.458 775 L N 0.579 121.795 121.223 -0.011 0.000 1.948 775 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 775 L C 2.606 179.460 176.870 -0.026 0.000 1.074 775 L CA 1.490 56.327 54.840 -0.006 0.000 0.753 775 L CB -0.513 41.551 42.059 0.009 0.000 0.888 775 L HN 0.412 nan 8.230 nan 0.000 0.432 776 L N -1.375 119.834 121.223 -0.024 0.000 2.123 776 L HA -0.357 3.982 4.340 -0.001 0.000 0.217 776 L C 2.608 179.483 176.870 0.007 0.000 1.081 776 L CA 1.592 56.441 54.840 0.014 0.000 0.772 776 L CB -0.358 41.750 42.059 0.082 0.000 0.890 776 L HN 0.270 nan 8.230 nan 0.000 0.437 777 Y N 0.995 121.108 120.300 -0.310 0.000 2.044 777 Y HA -0.324 4.225 4.550 -0.001 0.000 0.264 777 Y C 2.595 178.439 175.900 -0.093 0.000 1.111 777 Y CA 1.855 59.783 58.100 -0.287 0.000 1.088 777 Y CB -0.644 37.517 38.460 -0.498 0.000 0.981 777 Y HN 0.081 nan 8.280 nan 0.000 0.478 778 K N 0.018 120.330 120.400 -0.145 0.000 2.127 778 K HA -0.378 3.942 4.320 -0.001 0.000 0.222 778 K C 1.657 178.139 176.600 -0.197 0.000 1.034 778 K CA 2.653 58.837 56.287 -0.171 0.000 0.955 778 K CB -1.049 31.416 32.500 -0.058 0.000 0.786 778 K HN 0.642 nan 8.250 nan 0.000 0.465 779 Q N 0.339 120.061 119.800 -0.130 0.000 2.632 779 Q HA -0.070 4.269 4.340 -0.001 0.000 0.220 779 Q C -0.044 175.861 176.000 -0.160 0.000 0.980 779 Q CA 0.288 56.025 55.803 -0.110 0.000 0.934 779 Q CB -0.081 28.625 28.738 -0.055 0.000 0.979 779 Q HN 0.129 nan 8.270 nan 0.000 0.557 780 L N 0.573 121.626 121.223 -0.283 0.000 2.325 780 L HA 0.240 4.579 4.340 -0.001 0.000 0.278 780 L C 0.138 176.720 176.870 -0.480 0.000 1.023 780 L CA -0.116 54.450 54.840 -0.456 0.000 0.811 780 L CB 1.328 42.912 42.059 -0.791 0.000 1.249 780 L HN 0.087 nan 8.230 nan 0.000 0.431 781 N N 2.646 121.097 118.700 -0.416 0.000 2.918 781 N HA 0.196 4.936 4.740 -0.001 0.000 0.247 781 N C -0.132 175.249 175.510 -0.215 0.000 1.117 781 N CA -0.229 52.681 53.050 -0.233 0.000 1.005 781 N CB 0.161 38.574 38.487 -0.123 0.000 1.297 781 N HN 0.446 nan 8.380 nan 0.000 0.513 782 F N 1.180 121.136 119.950 0.011 0.000 2.701 782 F HA 0.100 4.626 4.527 -0.001 0.000 0.295 782 F C 1.687 177.511 175.800 0.040 0.000 1.165 782 F CA -0.385 57.641 58.000 0.044 0.000 1.399 782 F CB 0.322 39.352 39.000 0.050 0.000 0.996 782 F HN 0.350 nan 8.300 nan 0.000 0.513 783 T N 0.214 114.858 114.554 0.151 0.000 4.128 783 T HA -0.138 4.212 4.350 -0.001 0.000 0.196 783 T C 1.873 176.637 174.700 0.107 0.000 0.785 783 T CA 1.146 63.309 62.100 0.105 0.000 2.485 783 T CB -0.123 68.779 68.868 0.056 0.000 1.654 783 T HN 0.444 nan 8.240 nan 0.000 0.306 784 E N 1.506 121.753 120.200 0.079 0.000 2.127 784 E HA 0.012 4.361 4.350 -0.001 0.000 0.191 784 E C 0.498 177.148 176.600 0.084 0.000 0.964 784 E CA 0.183 56.628 56.400 0.075 0.000 0.832 784 E CB -0.297 29.435 29.700 0.054 0.000 0.790 784 E HN 0.576 nan 8.360 nan 0.000 0.465 785 N N 0.497 119.243 118.700 0.076 0.000 2.487 785 N HA 0.116 4.855 4.740 -0.001 0.000 0.292 785 N C -0.068 175.506 175.510 0.107 0.000 1.108 785 N CA -0.588 52.510 53.050 0.080 0.000 0.956 785 N CB 1.739 40.259 38.487 0.055 0.000 1.176 785 N HN 0.007 nan 8.380 nan 0.000 0.484 786 E N 0.110 120.386 120.200 0.127 0.000 2.562 786 E HA 0.042 4.391 4.350 -0.001 0.000 0.214 786 E C 0.757 177.452 176.600 0.158 0.000 0.979 786 E CA 0.252 56.761 56.400 0.183 0.000 1.002 786 E CB -0.019 29.811 29.700 0.216 0.000 1.048 786 E HN 0.805 nan 8.360 nan 0.000 0.488 787 T N -0.406 114.210 114.554 0.104 0.000 2.564 787 T HA -0.221 4.128 4.350 -0.001 0.000 0.259 787 T C 1.672 176.417 174.700 0.074 0.000 1.087 787 T CA 1.517 63.667 62.100 0.083 0.000 1.184 787 T CB -0.797 68.106 68.868 0.058 0.000 0.864 787 T HN 0.290 nan 8.240 nan 0.000 0.403 788 D N 1.363 121.790 120.400 0.046 0.000 2.264 788 D HA -0.150 4.490 4.640 -0.001 0.000 0.208 788 D C 1.948 178.256 176.300 0.014 0.000 0.966 788 D CA 0.602 54.614 54.000 0.021 0.000 0.864 788 D CB -0.729 40.072 40.800 0.001 0.000 0.933 788 D HN 0.280 nan 8.370 nan 0.000 0.499 789 N N 0.709 119.429 118.700 0.034 0.000 2.055 789 N HA -0.257 4.483 4.740 -0.001 0.000 0.200 789 N C 1.587 177.098 175.510 0.002 0.000 1.037 789 N CA 1.292 54.355 53.050 0.022 0.000 0.881 789 N CB -0.806 37.744 38.487 0.106 0.000 1.075 789 N HN 0.195 nan 8.380 nan 0.000 0.470 790 F N 2.228 122.017 119.950 -0.268 0.000 2.091 790 F HA -0.156 4.370 4.527 -0.001 0.000 0.299 790 F C 2.384 178.072 175.800 -0.186 0.000 1.103 790 F CA 1.626 59.325 58.000 -0.502 0.000 1.228 790 F CB -0.650 37.978 39.000 -0.621 0.000 0.984 790 F HN 0.217 nan 8.300 nan 0.000 0.477 791 E N -0.434 119.701 120.200 -0.109 0.000 2.114 791 E HA -0.250 4.099 4.350 -0.001 0.000 0.199 791 E C 2.258 178.747 176.600 -0.185 0.000 1.008 791 E CA 1.883 58.184 56.400 -0.166 0.000 0.810 791 E CB -0.463 29.196 29.700 -0.068 0.000 0.739 791 E HN 0.321 nan 8.360 nan 0.000 0.456 792 V N 1.156 121.001 119.914 -0.115 0.000 2.216 792 V HA -0.277 3.842 4.120 -0.001 0.000 0.243 792 V C 2.003 178.032 176.094 -0.107 0.000 1.044 792 V CA 2.001 64.246 62.300 -0.091 0.000 0.995 792 V CB -0.766 31.027 31.823 -0.050 0.000 0.633 792 V HN 0.228 nan 8.190 nan 0.000 0.446 793 F N 0.900 120.698 119.950 -0.253 0.000 2.076 793 F HA -0.381 4.146 4.527 -0.001 0.000 0.294 793 F C 2.573 178.194 175.800 -0.298 0.000 1.078 793 F CA 2.522 60.373 58.000 -0.250 0.000 1.247 793 F CB -0.713 38.098 39.000 -0.314 0.000 0.984 793 F HN 0.274 nan 8.300 nan 0.000 0.491 794 Q N 0.536 120.066 119.800 -0.451 0.000 1.861 794 Q HA -0.338 4.002 4.340 -0.001 0.000 0.242 794 Q C 2.265 178.044 176.000 -0.368 0.000 1.025 794 Q CA 2.670 58.190 55.803 -0.470 0.000 0.886 794 Q CB -0.479 28.027 28.738 -0.386 0.000 0.969 794 Q HN 0.486 nan 8.270 nan 0.000 0.418 795 K N 0.011 120.256 120.400 -0.257 0.000 2.173 795 K HA -0.173 4.147 4.320 -0.001 0.000 0.207 795 K C 2.016 178.496 176.600 -0.199 0.000 1.046 795 K CA 1.478 57.649 56.287 -0.193 0.000 0.929 795 K CB -0.300 32.115 32.500 -0.141 0.000 0.720 795 K HN 0.423 nan 8.250 nan 0.000 0.453 796 I N 1.315 121.746 120.570 -0.232 0.000 2.657 796 I HA -0.201 3.968 4.170 -0.001 0.000 0.261 796 I C 1.827 177.800 176.117 -0.241 0.000 1.212 796 I CA 1.429 62.606 61.300 -0.206 0.000 1.453 796 I CB -0.895 36.995 38.000 -0.182 0.000 1.092 796 I HN 0.271 nan 8.210 nan 0.000 0.452 797 I N -2.893 117.490 120.570 -0.311 0.000 3.707 797 I HA 0.394 4.564 4.170 -0.001 0.000 0.330 797 I C -0.502 175.507 176.117 -0.181 0.000 1.572 797 I CA -0.389 60.753 61.300 -0.262 0.000 1.104 797 I CB 0.166 37.947 38.000 -0.365 0.000 1.240 797 I HN -0.185 nan 8.210 nan 0.000 0.475 798 D N 0.000 120.309 120.400 -0.152 0.000 6.856 798 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 798 D CA 0.000 53.931 54.000 -0.115 0.000 0.868 798 D CB 0.000 40.729 40.800 -0.118 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683